SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SM_b20757 SM_b20757 methylmalonyl-CoA mutase to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P22033 Methylmalonyl-CoA mutase, mitochondrial; MCM; Methylmalonyl-CoA isomerase; EC 5.4.99.2 from Homo sapiens (Human) (see 28 papers)
62% identity, 98% coverage: 8:706/712 of query aligns to 42:740/750 of P22033

query
sites
P22033

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Q50 (≠ E16) binding
I69 (≠ V34) to V: in MMAM; likely benign; dbSNP:rs115923556
P86 (= P53) to L: in MMAM; mut0 and mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs769348060
G87 (= G54) to E: in MMAM; mut0; dbSNP:rs1554160986
R93 (= R60) to H: in MMAM; mut0; decreased methylmalonyl-CoA mutase activity; dbSNP:rs121918251
G94 (= G61) to R: in MMAM; mut0; dbSNP:rs727504022; to V: in MMAM; mut- and mut0; dbSNP:rs535411418
P95 (= P62) to R: in MMAM; mut0; dbSNP:rs190834116
YPTM 96:99 (≠ RATM 63:66) binding
Y100 (= Y67) to C: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs864309735
W105 (= W72) to R: in MMAM; mut0; dbSNP:rs121918249
TIRQY 106:110 (≠ TVRQY 73:77) binding
R108 (= R75) to C: in MMAM; mut0; dbSNP:rs121918257; to G: in MMAM; mut-; to H: in MMAM; mut0; dbSNP:rs483352778
Q109 (= Q76) to R: in MMAM; mut0; dbSNP:rs1461110052
G133 (= G100) to R: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs879253828
A137 (= A104) to V: in MMAM; mut0; dbSNP:rs941483851
D139 (= D106) to N: in MMAM; uncertain significance; dbSNP:rs879253829
L140 (= L107) to P: in MMAM; decreased protein expression; decreased methylmalonyl-CoA mutase activity
A141 (= A108) to T: in MMAM; decreased protein expression; dbSNP:rs1554160730
H143 (= H110) to Y: in MMAM; mut0
G145 (= G112) to S: in MMAM; mut0
S148 (= S115) to L: in MMAM; mut0; dbSNP:rs1300547552
D156 (= D123) to N: in MMAM; mut-
G158 (= G125) to V: in MMAM; mut0
G161 (= G128) to R: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; to V: in MMAM; decreased protein expression
F174 (= F141) to S: in MMAM; mut0; dbSNP:rs864309733
M186 (= M153) to V: in MMAM; mut-; dbSNP:rs148331800
T187 (= T154) to S: in MMAM; mut0; dbSNP:rs879253830
N189 (= N156) to I: in MMAM; mut-; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs200908035; to K: in MMAM; mut-; dbSNP:rs1561959114
A191 (= A158) to E: in MMAM; mut- and mut0; affects proper folding; reduced protein level; decreased methylmalonyl-CoA mutase activity; dbSNP:rs760782399
A197 (= A164) to E: in MMAM; mut0
G203 (= G170) to R: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs778702777
E205 (= E172) natural variant: Missing (in MMAM; mut0; dbSNP:rs879253831)
G215 (= G182) to C: in MMAM; mut- and mut0; dbSNP:rs121918258; to S: in MMAM; mut0; dbSNP:rs121918258
TIQ 216:218 (= TIQ 183:185) binding
Q218 (= Q185) to H: in MMAM; mut0 and mut-; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; alters thermodynamic stability; dbSNP:rs1446389693
N219 (= N186) to Y: in MMAM; mut0; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; dbSNP:rs121918256
R228 (= R195) binding ; to Q: in MMAM; mut0; dbSNP:rs770810987
T230 (= T197) to I: in MMAM; mut-; to R: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs879253833
Y231 (= Y198) to N: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; strong decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs864309736
K255 (= K222) binding
S262 (= S229) to N: in MMAM; mut0
H265 (= H232) binding ; to Y: in MMAM; mut-
E276 (= E243) to D: in MMAM; uncertain significance; mut-; dbSNP:rs12175488
L281 (= L248) to S: in MMAM; mut0; dbSNP:rs796052007
G284 (= G251) to E: in MMAM; mut0; dbSNP:rs879253835; to R: in MMAM; mut0; dbSNP:rs761477436
S288 (≠ V255) to P: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs1179778233
G291 (≠ A258) to E: in MMAM; mut0
Q293 (≠ A260) to P: in MMAM; mut0
RLS 304:306 (= RLS 271:273) binding
L305 (= L272) to S: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs1554160246
S306 (= S273) to F: in MMAM; mut0; dbSNP:rs1085307929
W309 (≠ F276) to G: in MMAM; decreased protein expression
G312 (= G279) to V: in MMAM; mut0; dbSNP:rs864309734
Y316 (≠ F283) to C: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; no decreased affinity for adenosylcob(III)alamin; dbSNP:rs781474200
A324 (= A291) to T: in MMAM; mut-; dbSNP:rs780387525
R326 (= R293) to K: in MMAM; uncertain significance; dbSNP:rs758577372
L328 (= L295) to F: in MMAM; mut0; affects proper folding; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; dbSNP:rs796052002; to P: in MMAM; mut0; dbSNP:rs965316043
S344 (= S310) to F: in MMAM; mut-; affects proper folding; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin
L346 (≠ M312) natural variant: Missing (in MMAM; mut0)
L347 (= L313) to R: in MMAM; mut0; dbSNP:rs1026703654
H350 (= H316) to Y: in MMAM; mut0; dbSNP:rs1407914109
L358 (= L324) to P: in MMAM; mut0
N366 (= N332) to S: in MMAM; mut-; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs864309737
R369 (= R335) to C: in MMAM; mut0; dbSNP:rs772552898; to H: in MMAM; mut- and mut0; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; alters thermodynamic stability; dbSNP:rs564069299
T370 (= T336) to P: in MMAM; mut0; dbSNP:rs368790885
A377 (= A343) to E: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs121918250
Q383 (= Q349) to H: in MMAM; mut0; to P: in MMAM; mut0
H386 (= H352) to N: in MMAM; mut0; dbSNP:rs1554159937; to R: in MMAM; mut0; dbSNP:rs866933356
T387 (= T353) to I: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability
N388 (= N354) to H: in MMAM; mut0; dbSNP:rs766010704; to K: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs879253840
S389 (= S355) natural variant: Missing (in MMAM; mut0)
I412 (≠ L378) natural variant: Missing (in MMAM; mut0)
P424 (= P390) to L: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs879253842
G426 (≠ A392) to E: in MMAM; mut-; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs533755473; to R: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; strong decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs769922244
G427 (= G393) to D: in MMAM; mut0; dbSNP:rs753288303
G454 (= G420) to E: in MMAM; mut0
A499 (≠ P465) to T: in dbSNP:rs2229385
I505 (= I471) to T: in MMAM; decreased protein expression; decreased methylmalonyl-CoA mutase activity
Q514 (= Q480) to E: in MMAM; uncertain significance; to K: in MMAM; decreased protein expression
L518 (≠ I484) to P: in MMAM; mut0; dbSNP:rs864309738
R532 (≠ Q498) to H: in dbSNP:rs1141321
A535 (≠ D501) to P: in MMAM; mut0; dbSNP:rs760183775
A552 (= A518) to V: in MMAM; uncertain significance; dbSNP:rs879253845
C560 (≠ A526) to Y: in MMAM; mut0; dbSNP:rs1238333040
T566 (= T532) to R: in MMAM; mut0
F573 (= F539) to S: in MMAM; mut-; affects proper folding; no effect on protein abundance; no effect on methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; does not alter thermodynamic stability; dbSNP:rs775593146
Y587 (= Y553) to C: in MMAM; mut-
I597 (≠ L563) to R: in MMAM; no changed in protein expression; decreased methylmalonyl-CoA mutase activity; dbSNP:rs1554158951
P615 (= P581) to L: in MMAM; mut0; affects proper folding; reduced strongly protein level; to R: in MMAM; mut0; dbSNP:rs1554158777; to T: in MMAM; mut0; affects proper folding; reduced strongly protein level; loss of methylmalonyl-CoA mutase activity; dbSNP:rs1302409621
R616 (≠ K582) to C: in MMAM; mut0; dbSNP:rs765284825
L617 (≠ I583) to R: in MMAM; mut0; dbSNP:rs1554158775
K621 (= K587) to N: in MMAM; mut0
G623 (= G589) to R: in MMAM; mut0; dbSNP:rs121918254
Q624 (= Q590) to R: in MMAM; no effect on protein abundance; dbSNP:rs768521956
D625 (= D591) to G: in MMAM; mut0; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs879253847; to V: in MMAM; mut0; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity
G626 (= G592) to C: in MMAM; mut-; dbSNP:rs982110849
H627 (= H593) binding axial binding residue; to R: in MMAM; mut0; dbSNP:rs372486357
G630 (= G596) to E: in MMAM; mut0; dbSNP:rs143023066
V633 (= V599) to G: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; does not alter thermodynamic stability; dbSNP:rs200055428
G637 (≠ A603) to E: in MMAM; mut-; to R: in MMAM; mut0; dbSNP:rs781501004
F638 (= F604) to I: in MMAM; mut0
D640 (= D606) to Y: in MMAM; mut0; dbSNP:rs865815395
G642 (= G608) to R: in MMAM; mut-; dbSNP:rs747897332
G648 (= G614) to D: in MMAM; mut-; no effect on protein abundance; decreased methylmalonyl-CoA mutase activity; strong decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs766721811
V669 (≠ I635) to E: in MMAM; mut0; dbSNP:rs1360470463
I671 (≠ V637) to V: in dbSNP:rs8589
L674 (= L640) to F: in MMAM; decreased protein abundance; decreased methylmalonyl-CoA mutase activity; dbSNP:rs1164271240
H678 (= H644) to R: in MMAM; mut-; dbSNP:rs147094927
E684 (≠ Q650) natural variant: E -> EL (in MMAM; mut-)
L685 (= L651) to R: in MMAM; mut-; dbSNP:rs864309739
R694 (≠ G660) to L: in MMAM; mut-; decreased protein abundance; loss of methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; to W: in MMAM; mut- and mut0; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs777758903
M700 (≠ V666) to K: in MMAM; mut-; no effect on protein abundance; loss of methylmalonyl-CoA mutase activity; decreased affinity for adenosylcob(III)alamin; alters thermodynamic stability; dbSNP:rs140600746
G703 (= G669) to R: in MMAM; mut0; dbSNP:rs121918255
G717 (= G683) to V: in MMAM; mut-; no effect on protein abundance; interferes with the binding of the cofactor to the apoenzyme; decreased methylmalonyl-CoA mutase activity; strong decreased affinity for adenosylcob(III)alamin; decreased thermodynamic stability; dbSNP:rs121918252
G723 (= G689) to D: in MMAM; decreased protein expression; decreased methylmalonyl-CoA mutase activity; dbSNP:rs755077681

Sites not aligning to the query:

1:32 modified: transit peptide, Mitochondrion
7:750 natural variant: Missing (in MMAM; mut-)
152:750 natural variant: Missing (in MMAM; mut0)
228:750 natural variant: Missing (in MMAM; mut0)

2xiqA Crystal structure of human methylmalonyl-coa mutase in complex with adenosylcobalamin and malonyl-coa (see paper)
62% identity, 98% coverage: 8:706/712 of query aligns to 7:705/714 of 2xiqA

query
sites
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active site: Y75 (= Y77), Y229 (= Y231), H230 (= H232), K586 (= K587), D590 (= D591), H592 (= H593)
binding cobalamin: Y75 (= Y77), L105 (= L107), H108 (= H110), A125 (= A127), R193 (= R195), E233 (= E235), G320 (= G321), W321 (≠ V322), E357 (= E358), G360 (≠ A361), L361 (= L362), G591 (= G592), H592 (= H593), D593 (= D594), R594 (= R595), G595 (= G596), I599 (= I600), G635 (= G636), S637 (= S638), L639 (= L640), A641 (= A642), G667 (= G668), G668 (= G669), F687 (= F688), G688 (= G689), T691 (= T692)
binding malonyl-coenzyme a: Y61 (≠ R63), T63 (= T65), M64 (= M66), R68 (= R70), T71 (= T73), R73 (= R75), Y75 (= Y77), S150 (= S152), T152 (= T154), T181 (= T183), R193 (= R195), K220 (= K222), H230 (= H232), R269 (= R271), S271 (= S273), F273 (= F275), R313 (= R314), A314 (≠ T315), H315 (= H316), Q317 (= Q318), Q348 (= Q349)

8dyjB Crystal structure of human methylmalonyl-coa mutase in complex with adp and cob(ii)alamin (see paper)
62% identity, 98% coverage: 8:706/712 of query aligns to 6:704/708 of 8dyjB

query
sites
8dyjB

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I

L

L

K

K

E

E

F

F

M

M

V
|
V

R
|
R

N

N

T

T

Y

Y

I

I

Y

F

P

P

E

E

P

P

S

S

M

M

R

K

I

I

V

I

A

A

D

D

I

I

I

F

E

E

Y

Y

T

T

A

A

K

K

E

H

M

M

P

P

K

K

F

F

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

D

L

A

V

I

Q

L

E

E

L

L

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

L

E

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Y

Y

V

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A

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A

G

L

L

A

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K

A

G

G

L

L

N

T

V

I

D

D

D

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F

F

A

A

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P

R

R

L

L

S

S

F

F

F
|
F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

F

Y

M

M

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E

A

I

A

A

K

K

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A

A

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L

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L

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W

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L

L

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L

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L

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A

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H

C

C

Q
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Q

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T

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|
G

V
x
W

S

S

L

L

Q

T

E

E

Q

Q

D

D

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P

Y

Y

N

N

I

I

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A

A

F

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A

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M

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A

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A

V

V

L

F

G

G

T

T

Q

Q

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S

L

L

H

H

T

T

N
|
N

S

S

F

F

D

D

E
|
E

A

A

M

L

A
x
G

L
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L

P
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P

T

T

D

V

F

K

S

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A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

I

I

I

L

I

Q

Q

H

E

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S

G

G

V

I

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P

K

K

V

V

V

A

D

D

P

P

L

W

A

G

G

G

S

S

Y

Y

Y

M

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M

E

E

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C

L

L

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T

N

N

E

D

L

V

A

Y

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D

K

A

A

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L

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L

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N

E

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I

E

E

A

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M

G

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M

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A

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A

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N

A

A

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G

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P

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L

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I

I

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C

A

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A

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I

D

D

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S

A

G

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S

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V

I

I

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G

G

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N

N

K

K

Y

Y

R

Q

L

L

E

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N

K

E

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Q

D

P

T

I

V

D

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I

V

L

L

Q

A

I

I

D

D

N

N

A

T

A

S

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V

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R

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N

A

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Q

Q

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I

K

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K

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L

L

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A

A

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L

L

A

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D

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C

A

A

R

A

S

S

G

G

K

D

G

G

N

N

L

I

L

L

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A

A

L

A

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V

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D

A

A

A

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R

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A

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T

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V

G

G

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I

I

T

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D

A

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L

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K

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F

G

G

D

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Y

H

T

K

A

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N

P

D

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V

M

V

V

T

S

D

G

I

A

Y

Y

G

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K

Q

A

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Y

F

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G

G

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D

S

P

K

E

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L

I

G

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V

S

L

A

A

I

G

K

R

R

L

V

G

H

E

K

A

F

T

M

K

E

R

R

L

E

G

G

H

R

K

R

P

P

K

R

I

L

M

L

V

V

A

A

K

K

L

M

G

G

Q

Q

D

D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

A

K

K

V

V

I
|
I

A

A

S

T

A

G

F

F

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

I

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

R

E

E

A

V

A

A

D

Q

L

Q

A

A

L

V

A

D

E

A

E

D

V

V

T

H

V

A

I

V

G

G

V

V

S
|
S

S

T

L
|
L

A

A

A
|
A

G

G

H

H

R

K

T

T

L

L

M

V

P

P

Q

E

L

L

A

I

E

K

A

E

L

L

K

N

K

S

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

V

V

M

C

C

G
|
G

V
|
V

I

I

P

P

R

P

Q

Q

D

D

Y

Y

D

E

Y

F

L

L

M

F

E

E

N

V

G

G

V

V

A

S

A

N

V

V

F
|
F

G
|
G

P

P

G

G

T
|
T

Q

R

V

I

L

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D

K

A

A

R

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A

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V

V

L

L

D

D

L

D

I

I

E

E

binding adenosine-5'-diphosphate: Y74 (= Y77), T151 (= T154), R192 (= R195), Y228 (= Y231), H229 (= H232), F272 (= F275), Q316 (= Q318), N352 (= N354), E356 (= E358), L360 (= L362), P361 (= P363)
binding cobalamin: F102 (= F105), L104 (= L107), H107 (= H110), A124 (= A127), V191 (= V194), R192 (= R195), H229 (= H232), E232 (= E235), G319 (= G321), W320 (≠ V322), E356 (= E358), G359 (≠ A361), L360 (= L362), G590 (= G592), H591 (= H593), D592 (= D594), R593 (= R595), G594 (= G596), I598 (= I600), S636 (= S638), L638 (= L640), A640 (= A642), G666 (= G668), G667 (= G669), V668 (= V670), F686 (= F688), G687 (= G689), T690 (= T692)

8gjuJ Crystal structure of human methylmalonyl-coa mutase (mmut) in complex with methylmalonic acidemia type a protein (mmaa), coenzyme a, and gdp (see paper)
61% identity, 98% coverage: 8:706/712 of query aligns to 7:682/689 of 8gjuJ

query
sites
8gjuJ

D

E

W

W

E

A

A

A

L

L

A

A

E

K

K

K

E

Q

L

L

R

K

-

G

V

K

S

N

P

P

E

E

G

D

L

L

V

I

W

W

H

H

T

T

P

P

E

E

G

G

I

I

D

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I

K

K

P

P

L

L

Y

Y

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S

K

D

R

D

D

M

T

S

M

G

D

I

L

G

P

H

E

L

-

N

-

S

E

L

L

P

P

G

G

F

V

E

K

P

P

F

F

V

T

R

R

G

G

P

P

R
x
Y

A

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T
|
T

M

M

Y

Y

A

T

G

F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y

Y

A

A

G

G

F

F

S

S

T

T

A

V

E

E

A

E

S

S

N

N

A

K

F

F

Y

Y

R

K

R

D

N

N

L

I

A

K

A

A

G

G

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Q

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G

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V

V

A

A

F

F

D

D

L

L

A

A

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T

H

H

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R

G

G

Y

Y

D

D

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D

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N

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S

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T

M

M

N

N

G

G

A

A

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I

I

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P

I

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L

L

A

A

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F

F

I

I

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D

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K

K

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|
T

I

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Q
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Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V

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N

N

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Y

Y

I

I

Y

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P

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M

M

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K

I

I

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I

A

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D

I

I

I

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E

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Y

Y

T

T

A

A

K

K

E

H

M

M

P

P

K

K

F

F

N
|
N

S

S

I

I

S

S

I

I

S

S

G

G

Y

Y

H

H

M

M

Q

Q

E

E

A

A

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G

A

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D

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I

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L

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L

L

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Y

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L

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G

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A

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G

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N

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D

D

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F

F

A

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R
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R

L

L

S
|
S

F

F

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W

A

G

I

I

G

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M

M

N

N

F

F

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Y

M

M

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S

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L

L

M

L

L

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|
R

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x
A

H
|
H

C

C

Q

Q

T

T

S

S

G

G

V

W

S

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L

L

Q

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Q

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Y

Y

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N

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A

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I

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A

A

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A

A

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V

L

F

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Q
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Q

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S

L

L

H

H

T

T

N

N

S

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F

F

D

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E

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A

A

M

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A

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F

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A

A

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I

I

A

A

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R

N

N

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T

Q

Q

L

I

I

I

L

I

Q

Q

H

E

E

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S

G

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A

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A

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M

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M

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C

L

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L

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A

Y

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A

A

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L

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L

L

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N

E

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I

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E

A

E

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M

G

G

M

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T

A

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A

A

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N

A

A

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L

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I

I

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A

A

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A

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Q

Q

A

A

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V

I

D

D

R

S

A

G

E

S

E

E

V

V

I

I

V

V

G

G

V

V

N

N

K

K

Y

Y

R

Q

L

L

E

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N

K

E

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Q

D

P

T

I

V

D

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I

V

L

L

Q

A

I

I

D

D

N

N

A

T

A

S

V

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N

A

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Q

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I

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K

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D

D

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Q

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A

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C

L

L

D

A

A

A

L

L

A

T

D

E

V

C

A

A

R

A

S

S

G

G

K

D

G

G

N

N

L

I

L

L

A

A

A

L

A

A

V

V

E

D

A

A

A

S

R

R

A

A

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C

T

T

V

V

G

G

E

E

I

I

T

T

D

D

A

A

M

L

R

K

E

K

A

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F

F

G

G

D

E

Y

H

T

K

A

E

I

I

P

T

E

S

V

A

V

I

T

K

D

-

I

-

Y

-

G

-

K

-

A

-

Y

-

E

-

G

-

D

-

P

-

E

-

L

-

G

-

V

-

L

-

A

-

G

-

R

R

L

V

G

H

E

K

A

F

T

M

K

E

R

R

L

E

G

G

H

R

K

R

P

P

K

R

I

L

M

L

V

V

A

A

K

K

L

M

G

-

Q

-

D

-

G

-

H

-

D

D

R

R

G

G

A

A

K

K

V

V

I

I

A

A

S

T

A

G

F

F

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

I

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

R

E

E

A

V

A

A

D

Q

L

Q

A

A

L

V

A

D

E

A

E

D

V

V

T

H

V

A

I

V

G

G

V

V

S

S

S

T

L

L

A

A

G

G

H

H

R

K

T

T

L

L

M

V

P

P

Q

E

L

L

A

I

E

K

A

E

L

L

K

N

K

S

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

V

V

M

C

C

G

G

V

V

I

I

P

P

R

P

Q

Q

D

D

Y

Y

D

E

Y

F

L

L

M

F

E

E

N

V

G

G

V

V

A

S

A

N

V

V

F

F

G

G

P

P

G

G

T

T

Q

R

V

I

L

P

D

K

A

A

R

V

A

Q

V

V

L

L

D

D

L

D

I

I

E

E

binding coenzyme a: Y61 (≠ R63), T63 (= T65), R68 (= R70), T71 (= T73), R73 (= R75), S150 (= S152), T152 (= T154), T181 (= T183), Q183 (= Q185), N222 (= N224), R269 (= R271), S271 (= S273), R313 (= R314), A314 (≠ T315), H315 (= H316), Q348 (= Q349)

P11653 Methylmalonyl-CoA mutase large subunit; MCM-alpha; EC 5.4.99.2 from Propionibacterium freudenreichii subsp. shermanii (see 4 papers)
59% identity, 96% coverage: 23:703/712 of query aligns to 35:727/728 of P11653

query
sites
P11653

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T

T

M
|
M

Y

Y

A

A

G

F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S
|
S

V

V

A

A

F
|
F

D

D

L

L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S

S

M

M

T

T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T
|
T

I

I

Q
|
Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V
|
V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y

Y

H
|
H

M

M

Q

Q

E

E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R
|
R

L

L

S
|
S

F

F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R

R

T

T

H

H

C

S

Q

Q

T

T

S

S

G
|
G

V

W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q

Q

S

S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E
|
E

A

A

M

I

A
|
A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K

K

L

M

G

G

Q

Q

D

D

G
|
G

H
|
H

D
|
D

R
|
R

G

G

A

Q

K

K

V

V

I

I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G

G

G
|
G

V

V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F

Y

G

T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

Y75 (≠ R63) binding
M78 (= M66) binding
R82 (= R70) binding
T85 (= T73) binding
R87 (= R75) binding
Y89 (= Y77) binding ; mutation to F: Does not significantly affect affinity for succiny-CoA, but kcat is lowered about 580-fold.
S114 (= S102) binding
F117 (= F105) binding
A139 (= A127) binding
T195 (= T183) binding
Q197 (= Q185) binding
V206 (= V194) binding
R207 (= R195) binding ; binding
H244 (= H232) binding
R283 (= R271) binding
S285 (= S273) binding
G333 (= G321) binding
E370 (= E358) binding
A373 (= A361) binding
G609 (= G592) binding
H610 (= H593) binding axial binding residue
D611 (= D594) binding
R612 (= R595) binding
S655 (= S638) binding
L657 (= L640) binding
G686 (= G669) binding
T709 (= T692) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4reqA Methylmalonyl-coa mutase substrate complex (see paper)
59% identity, 96% coverage: 23:703/712 of query aligns to 33:725/726 of 4reqA

query
sites
4reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T

T

M
|
M

Y

Y

A

A

G
x
F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S
|
S

V

V

A

A

F

F

D

D

L
|
L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S
|
S

M

M

T
|
T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T
|
T

I

I

Q
|
Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V
|
V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N
|
N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R
|
R

L

L

S
|
S

F

F

F
|
F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R
|
R

T

T

H
|
H

C

S

Q
|
Q

T

T

S

S

G
|
G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q
|
Q

S
|
S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E
|
E

A
|
A

M

I

A
|
A

L
|
L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V
|
V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y87 (= Y77), Y241 (= Y231), H242 (= H232), K602 (= K587), D606 (= D591), H608 (= H593)
binding cobalamin: Y87 (= Y77), L117 (= L107), A137 (= A127), V204 (= V194), R205 (= R195), H242 (= H232), E245 (= E235), G331 (= G321), W332 (≠ V322), E368 (= E358), A369 (= A359), A371 (= A361), L372 (= L362), G607 (= G592), H608 (= H593), D609 (= D594), R610 (= R595), G611 (= G596), I615 (= I600), S653 (= S638), L655 (= L640), G683 (= G668), G684 (= G669), V685 (= V670), Y703 (≠ F688), T704 (≠ G689), T707 (= T692)
binding methylmalonyl-coenzyme a: Y73 (≠ R63), M76 (= M66), F79 (≠ G69), R80 (= R70), T83 (= T73), R85 (= R75), Y87 (= Y77), S112 (= S102), S162 (= S152), T164 (= T154), T193 (= T183), R205 (= R195), N234 (= N224), Y241 (= Y231), H242 (= H232), R281 (= R271), S283 (= S273), F285 (= F275), H326 (= H316), Q328 (= Q318), Q359 (= Q349), S360 (= S350)
binding succinyl-coenzyme a: Y73 (≠ R63), M76 (= M66), F79 (≠ G69), R80 (= R70), T83 (= T73), R85 (= R75), Y87 (= Y77), S162 (= S152), T164 (= T154), T193 (= T183), Q195 (= Q185), R205 (= R195), N234 (= N224), Y241 (= Y231), H242 (= H232), R281 (= R271), S283 (= S273), F285 (= F275), R324 (= R314), H326 (= H316), Q359 (= Q349)

7reqA Methylmalonyl-coa mutase, 2-carboxypropyl-coa inhibitor complex (see paper)
59% identity, 96% coverage: 23:703/712 of query aligns to 32:724/725 of 7reqA

query
sites
7reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T
|
T

M
|
M

Y

Y

A

A

G
x
F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S

S

V

V

A

A

F

F

D

D

L
|
L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S
|
S

M

M

T
|
T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T
|
T

I

I

Q

Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V

V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R
|
R

L

L

S
|
S

F

F

F
|
F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R

R

T

T

H
|
H

C

S

Q

Q

T

T

S

S

G
|
G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q
|
Q

S

S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E
|
E

A
|
A

M

I

A
|
A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V

V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y86 (= Y77), Y240 (= Y231), H241 (= H232), K601 (= K587), D605 (= D591), H607 (= H593)
binding 2-carboxypropyl-coenzyme a: Y72 (≠ R63), T74 (= T65), M75 (= M66), F78 (≠ G69), R79 (= R70), T82 (= T73), R84 (= R75), Y86 (= Y77), S161 (= S152), T163 (= T154), T192 (= T183), R204 (= R195), H241 (= H232), R280 (= R271), S282 (= S273), F284 (= F275), H325 (= H316), Q358 (= Q349)
binding cobalamin: Y86 (= Y77), L116 (= L107), A136 (= A127), R204 (= R195), E244 (= E235), G330 (= G321), W331 (≠ V322), E367 (= E358), A368 (= A359), A370 (= A361), G606 (= G592), H607 (= H593), D608 (= D594), R609 (= R595), G610 (= G596), I614 (= I600), S652 (= S638), L654 (= L640), G682 (= G668), G683 (= G669), Y702 (≠ F688), T703 (≠ G689), T706 (= T692)

3reqA Methylmalonyl-coa mutase, substrate-free state (poor quality structure) (see paper)
59% identity, 96% coverage: 23:703/712 of query aligns to 32:724/725 of 3reqA

query
sites
3reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R

Y

A

A

T

T

M

M

Y

Y

A

A

G

F

R

R

P

P

W

W

T

T

V

I

R

R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S

S

V

V

A

A

F

F

D

D

L
|
L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A

A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S

S

M

M

T

T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T

T

I

I

Q

Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V
|
V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R

R

L

L

S

S

F

F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R

R

T

T

H

H

C

S

Q

Q

T

T

S

S

G
|
G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q

Q

S

S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E

E

A
|
A

M

I

A

A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G
|
G

V

V

S
|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V

V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P
|
P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y86 (= Y77), Y240 (= Y231), H241 (= H232), K601 (= K587), D605 (= D591), H607 (= H593)
binding adenosine: Y86 (= Y77), Y240 (= Y231), E244 (= E235), G330 (= G321)
binding cobalamin: L116 (= L107), V203 (= V194), R204 (= R195), E244 (= E235), G330 (= G321), W331 (≠ V322), A368 (= A359), G606 (= G592), H607 (= H593), D608 (= D594), R609 (= R595), G610 (= G596), I614 (= I600), G650 (= G636), S652 (= S638), L654 (= L640), G682 (= G668), G683 (= G669), Y702 (≠ F688), T703 (≠ G689), P704 (= P690), T706 (= T692)

2reqA Methylmalonyl-coa mutase, non-productive coa complex, in open conformation representing substrate-free state (see paper)
59% identity, 96% coverage: 23:703/712 of query aligns to 32:724/725 of 2reqA

query
sites
2reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T

T

M

M

Y

Y

A

A

G

F

R
|
R

P

P

W

W

T

T

V

I

R

R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S

S

V

V

A

A

F

F

D

D

L

L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A

A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S

S

M

M

T

T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T

T

I

I

Q

Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V
|
V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A
|
A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R

R

L

L

S

S

F

F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S
x
K

S

S

L

M

M

S

L

L

R

R

T

T

H

H

C

S

Q

Q

T

T

S

S

G

G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q

Q

S

S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E

E

A
|
A

M

I

A

A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G
|
G

V

V

S
|
S

S

S

L
|
L

A
|
A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V

V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y86 (= Y77), Y240 (= Y231), H241 (= H232), K601 (= K587), D605 (= D591), H607 (= H593)
binding cobalamin: V203 (= V194), R204 (= R195), E244 (= E235), A245 (= A236), W331 (≠ V322), A368 (= A359), G606 (= G592), H607 (= H593), D608 (= D594), R609 (= R595), G610 (= G596), I614 (= I600), G650 (= G636), S652 (= S638), L654 (= L640), A655 (= A641), G682 (= G668), G683 (= G669), Y702 (≠ F688), T703 (≠ G689), T706 (= T692)
binding coenzyme a: Y72 (≠ R63), R79 (= R70), K318 (≠ S309)

6reqA Methylmalonyl-coa mutase, 3-carboxypropyl-coa inhibitor complex (see paper)
59% identity, 96% coverage: 23:703/712 of query aligns to 34:726/727 of 6reqA

query
sites
6reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T
|
T

M
|
M

Y

Y

A

A

G
x
F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S
|
S

V

V

A

A

F
|
F

D

D

L
|
L

A

P

T

T

H
|
H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S
|
S

M

M

T
|
T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T
|
T

I

I

Q

Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V

V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N

N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R
|
R

L

L

S
|
S

F

F

F
|
F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R

R

T

T

H
|
H

C

S

Q
|
Q

T

T

S

S

G
|
G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q
|
Q

S

S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E
|
E

A
|
A

M

I

A
|
A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F
x
Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A
x
G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V

V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y88 (= Y77), Y242 (= Y231), H243 (= H232), K603 (= K587), D607 (= D591), H609 (= H593)
binding 3-carboxypropyl-coenzyme a: Y74 (≠ R63), T76 (= T65), M77 (= M66), F80 (≠ G69), R81 (= R70), T84 (= T73), R86 (= R75), Y88 (= Y77), S113 (= S102), S163 (= S152), T165 (= T154), T194 (= T183), R206 (= R195), H243 (= H232), R282 (= R271), S284 (= S273), F286 (= F275), H327 (= H316), Q329 (= Q318), Q360 (= Q349)
binding cobalamin: Y88 (= Y77), F116 (= F105), L118 (= L107), H121 (= H110), A138 (= A127), R206 (= R195), E246 (= E235), G332 (= G321), W333 (≠ V322), E369 (= E358), A370 (= A359), A372 (= A361), G608 (= G592), H609 (= H593), D610 (= D594), R611 (= R595), G612 (= G596), I616 (= I600), Y620 (≠ F604), S654 (= S638), L656 (= L640), G658 (≠ A642), G684 (= G668), G685 (= G669), Y704 (≠ F688), T705 (≠ G689), T708 (= T692)

5reqA Methylmalonyl-coa mutase, y89f mutant, substrate complex (see paper)
58% identity, 96% coverage: 23:703/712 of query aligns to 32:724/725 of 5reqA

query
sites
5reqA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T
|
T

M
|
M

Y

Y

A

A

G

F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
x
F

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S
|
S

V

V

A

A

F

F

D

D

L
|
L

A

P

T

T

H

H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S
|
S

M

M

T
|
T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

K

R

P

D

E

K

Q

L

L

S

A

G

G

T
|
T

I

I

Q
|
Q

N

N

D

D

I

I

L

L

K

K

E

E

F

F

M

M

V

V

R
|
R

N

N

T

T

Y

Y

I

I

Y

Y

P

P

E

Q

P

P

S

S

M

M

R

R

I

I

V

I

A

S

D

E

I

I

I

F

E

A

Y

Y

T

T

A

S

K

A

E

N

M

M

P

P

K

K

F

W

N
|
N

S

S

I

I

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

M

Q

Q

E
|
E

A

A

G

G

A

A

T

T

L

A

V

D

Q

I

E

E

L

M

A

A

F

Y

T

T

L

L

A

A

D

D

G

G

R

V

E

D

Y

Y

V

I

R

R

A

A

A

G

L

E

A

S

K

V

G

G

L

L

N

N

V

V

D

D

D

Q

F

F

A

A

G

P

R
|
R

L

L

S
|
S

F

F

F
|
F

F

W

A

G

I

I

G

G

M

M

N

N

F

F

M

M

E

E

A

V

A

A

K

K

L

L

R

R

A

A

R

R

L

M

L

L

W

W

T

A

R

K

I

L

M

V

Q

H

E

Q

F

F

K

G

P

P

E

K

K

N

A

P

S

K

S

S

L

M

M

S

L

L

R

R

T
|
T

H
|
H

C

S

Q

Q

T

T

S

S

G
|
G

V
x
W

S

S

L

L

Q

T

E

A

Q

Q

D

D

P

V

Y

Y

N

N

I

V

V

V

R

R

T

T

A

C

F

I

E

E

A

A

M

M

S

A

A

A

V

T

L

Q

G

G

G

H

T

T

Q
|
Q

S
|
S

L

L

H

H

T

T

N

N

S

S

F

L

D

D

E
|
E

A
|
A

M

I

A
|
A

L

L

P

P

T

T

D

D

F

F

S

S

A

A

R

R

I

I

A

A

R

R

N

N

T

T

Q

Q

L

L

I

F

L

L

Q

Q

H

Q

E

E

T

S

G

G

V

T

T

T

K

R

V

V

V

I

D

D

P

P

L

W

A

S

G

G

S

S

Y

A

Y

Y

V

V

E

E

S

E

L

L

T

T

N

W

E

D

L

L

A

A

E

R

K

K

A

A

W

W

G

G

L

H

I

I

E

Q

E

E

V

V

E

E

A

K

L

V

G

G

M

M

T

A

K

K

A

A

V

I

N

E

A

K

G

G

L

I

P

P

K

K

R

M

L

R

I

I

E

E

A

A

T

A

R

R

R

T

Q

Q

A

A

A

R

V

I

D

D

R

S

A

G

E

R

E

Q

V

P

I

L

V

I

G

G

V

V

N

N

K

K

Y

Y

R

R

L

L

E

E

N

H

E

E

Q

P

P

P

I

L

D

D

I

V

L

L

Q

K

I

V

D

D

N

N

A

S

A

T

V

V

R

L

T

A

A

E

Q

Q

V

K

K

A

R

K

I

L

E

V

E

K

T

L

R

R

R

A

R

E

R

R

D

D

S

P

Q

E

K

K

M

V

K

K

Q

A

A

A

L

L

D

D

A

K

L

I

A

T

D

W

V

A

A

A

-

G

-

N

-

P

-

D

R

K

S

D

G

P

K

D

G

R

N

N

L

L

A

K

A

L

A

C

V

I

E

D

A

A

A

G

R

R

A

A

R

M

A

A

T

T

V

V

G

G

E

E

I

M

T

S

D

D

A

A

M

L

R

E

E

K

A

V

F

F

G

G

D

R

Y

Y

T

T

A

A

I

Q

P

I

E

R

V

T

V

I

T

S

D

G

I

V

Y

Y

G

S

K

K

A

E

Y

V

E

K

G

N

D

T

P

P

E

E

L

V

G

E

V

E

L

A

A

R

G

E

R

L

L

V

G

E

E

E

A

F

T

E

K

Q

R

A

L

E

G

G

H

R

K

R

P

P

K

R

I

I

M

L

V

L

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G
|
G

A

Q

K

K

V

V

I
|
I

A

A

S

T

A

A

F

Y

G

A

D

D

I

L

G

G

F

F

D

D

V

V

V

D

A

V

G

G

P

P

L

L

F

F

Q

Q

T

T

P

P

E

E

A

T

A

A

D

R

L

Q

A

A

L

V

A

E

E

A

E

D

V

V

T

H

V

V

I

V

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

K

A

E

L

L

K

D

K

K

R

L

G

G

G

R

E

P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V
|
V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A

S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: F86 (≠ Y77), Y240 (= Y231), H241 (= H232), K601 (= K587), D605 (= D591), H607 (= H593)
binding cobalamin: L116 (= L107), A136 (= A127), R204 (= R195), H241 (= H232), E244 (= E235), G330 (= G321), W331 (≠ V322), E367 (= E358), A368 (= A359), A370 (= A361), G606 (= G592), H607 (= H593), D608 (= D594), R609 (= R595), G610 (= G596), I614 (= I600), S652 (= S638), L654 (= L640), G682 (= G668), G683 (= G669), V684 (= V670), Y702 (≠ F688), T703 (≠ G689), T706 (= T692)
binding methylmalonyl(carbadethia)-coenzyme a: Y72 (≠ R63), T74 (= T65), M75 (= M66), R79 (= R70), T82 (= T73), R84 (= R75), F86 (≠ Y77), S111 (= S102), S161 (= S152), T163 (= T154), T192 (= T183), Q194 (= Q185), R204 (= R195), N233 (= N224), H241 (= H232), R280 (= R271), S282 (= S273), F284 (= F275), T324 (= T315), H325 (= H316), Q358 (= Q349), S359 (= S350)
binding succinyl(carbadethia)-coenzyme a: Y72 (≠ R63), T74 (= T65), M75 (= M66), R79 (= R70), T82 (= T73), R84 (= R75), F86 (≠ Y77), S161 (= S152), T163 (= T154), T192 (= T183), R204 (= R195), N233 (= N224), H241 (= H232), R280 (= R271), S282 (= S273), F284 (= F275), H325 (= H316), Q358 (= Q349)

1e1cA Methylmalonyl-coa mutase h244a mutant (see paper)
58% identity, 96% coverage: 23:703/712 of query aligns to 34:726/727 of 1e1cA

query
sites
1e1cA

G

G

L

E

V

A

W

W

H

E

T

T

P

A

E

E

G

Q

I

I

D

P

V

V

K

G

P

T

L

L

Y

F

T

N

S

E

D

D

D

V

M

Y

S

K

G

D

I

M

G

D

H

W

L

L

N

D

S

T

L

Y

P

A

G

G

F

I

E

P

P

P

F

F

V

V

R

H

G

G

P

P

R
x
Y

A

A

T

T

M
|
M

Y

Y

A

A

G
x
F

R
|
R

P

P

W

W

T
|
T

V

I

R
|
R

Q

Q

Y
|
Y

A

A

G

G

F

F

S

S

T

T

A

A

E

K

A

E

S

S

N

N

A

A

F

F

Y

Y

R

R

N

N

L

L

A

A

G

G

Q

Q

Q

K

G

G

V

L

S
|
S

V

V

A

A

F

F

D

D

L
|
L

A

P

T

T

H
|
H

R

R

G

G

Y

Y

D

D

S

S

D

D

H

N

P

P

R

R

V

V

Q

A

G

G

D

D

V

V

G

G

K

M

A
|
A

G

G

V

V

A

A

I

I

D

D

S

S

V

I

E

Y

D

D

M

M

K

R

I

E

L

L

F

F

D

A

G

G

I

I

P

P

L

L

D

D

R

Q

I

M

S

S

V

V

S
|
S

M

M

T
|
T

M

M

N

N

G

G

A

A

V

V

I

L

P

P

I

I

L

L

A

A

S

L

F

Y

I

V

V

V

A

T

G

A

E

E

Q

Q

G

G

V

V

S

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G

H
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H

D
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D

R
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R

G
|
G

A

Q

K

K

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V

I
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I

A

A

S

T

A

A

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x
Y

G

A

D

D

I

L

G

G

F

F

D

D

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V

V

D

A

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G

P

P

L

L

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F

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V

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V

V

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V

G

G

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|
S

S

S

L
|
L

A

A

A

G

G

G

H

H

R

L

T

T

L

L

M

V

P

P

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A

L

L

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K

A

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L

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K

K

R

L

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G

G

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P

D

D

I

I

I

L

V

I

V

T

C

V

G
|
G

V
|
V

I

I

P

P

R

E

Q

Q

D

D

Y

F

D

D

Y

E

L

L

M

R

E

K

N

D

G

G

V

A

A

V

A

E

V

I

F
x
Y

G
x
T

P

P

G

G

T
|
T

Q

V

V

I

L

P

D

E

A
x
S

A

A

-

I

-

S

-

L

-

V

-

K

-

L

R

R

A

A

V

S

L

L

D

D

active site: Y88 (= Y77), Y242 (= Y231), A243 (≠ H232), K603 (= K587), D607 (= D591), H609 (= H593)
binding cobalamin: Y88 (= Y77), L118 (= L107), H121 (= H110), A138 (= A127), V205 (= V194), R206 (= R195), E246 (= E235), G332 (= G321), W333 (≠ V322), E369 (= E358), A370 (= A359), A372 (= A361), L373 (= L362), G608 (= G592), H609 (= H593), D610 (= D594), R611 (= R595), G612 (= G596), I616 (= I600), Y620 (≠ F604), S654 (= S638), L656 (= L640), G684 (= G668), G685 (= G669), V686 (= V670), Y704 (≠ F688), T705 (≠ G689), T708 (= T692), S713 (≠ A697)
binding desulfo-coenzyme a: Y74 (≠ R63), M77 (= M66), F80 (≠ G69), R81 (= R70), T84 (= T73), R86 (= R75), S113 (= S102), S163 (= S152), T165 (= T154), T194 (= T183), R282 (= R271), S284 (= S273), H327 (= H316), Q360 (= Q349)

6oxdA Structure of mycobacterium tuberculosis methylmalonyl-coa mutase with adenosyl cobalamin (see paper)
59% identity, 96% coverage: 20:706/712 of query aligns to 39:726/736 of 6oxdA

query
sites
6oxdA

S

T

P

P

E

E

G

Q

L

L

V

V

W

W

H

H

T

T

P

P

E

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G

I

I

D

D

V

V

K

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P

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Y

Y

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A

D

A

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D

M

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S

A

G

A

I

A

G

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H

A

-

E

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G

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Y

-

P

L

L

N

H

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L

F

P

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G

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P

P

F

F

V

V

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R

G

G

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P

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x
Y

A

P

T
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T

M
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M

Y

Y

A

V

G

N

R
x
Q

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P

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W

T
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T

V

I

R
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R

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Q

Y
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Y

A

A

G

G

F

F

S

S

T

T

A

A

E

A

A

D

S

S

N

N

A

A

F

F

Y

Y

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R

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N

L

L

A

A

G

G

Q

Q

Q

K

G

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F

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L

A

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G

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Y

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P

K

R

I

I

M

L

V

I

A

A

K
|
K

L

M

G

G

Q

Q

D
|
D

G
|
G

H
|
H

D
|
D

R
|
R

G

G

A

Q

K

K

V

V

I

I

A

A

S

T

A

A

F

F

G

A

D

D

I

I

G

G

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F

D

D

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V

V

D

A

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G

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S

L

L

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F

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P

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A

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D

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L

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A

A

L

A

A

D

E

N

E

D

V

V

T

H

V

V

I

I

G

G

V

V

S
|
S

S

S

L
|
L

A

A

A
|
A

G

G

H

H

R

L

T

T

L

L

M

V

P

P

Q

A

L

L

A

R

E

D

A

A

L

L

K

A

K

Q

R

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G

G

G

R

E

P

D

D

I

I

I

M

V

I

V

V

C

V

G
|
G

V

V

I

I

P

P

R

P

Q

G

D

D

Y

F

D

D

Y

E

L

L

M

Y

E

A

N

A

G

G

V

A

A

T

A

A

V

I

F
|
F

G
x
P

P

P

G

G

T
|
T

Q

V

V

I

L

A

D

D

A

A

R

-

A

-

V

-

L

I

D

D

L

L

I

L

E

H

active site: Y100 (= Y77), Y254 (= Y231), H255 (= H232), K610 (= K587), D614 (= D591), H616 (= H593)
binding cobalamin: Y100 (= Y77), L130 (= L107), H133 (= H110), A150 (= A127), R218 (= R195), E258 (= E235), G344 (= G321), W345 (≠ V322), E381 (= E358), A382 (= A359), A384 (= A361), L385 (= L362), G615 (= G592), H616 (= H593), D617 (= D594), R618 (= R595), S661 (= S638), L663 (= L640), A665 (= A642), G691 (= G668), G692 (= G669), F711 (= F688), P712 (≠ G689), T715 (= T692)
binding Itaconyl coenzyme A: Y86 (≠ R63), T88 (= T65), M89 (= M66), Q93 (≠ R70), T96 (= T73), R98 (= R75), Y100 (= Y77), S175 (= S152), T177 (= T154), T206 (= T183), R218 (= R195), H255 (= H232), R294 (= R271), S296 (= S273), F298 (= F275), R337 (= R314), T338 (= T315), H339 (= H316), Q341 (= Q318), Q372 (= Q349)

I3VE77 2-hydroxyisobutanoyl-CoA mutase large subunit; 2-hydroxyisobutyryl-CoA mutase large subunit; HCM large subunit; EC 5.4.99.64 from Aquincola tertiaricarbonis (see 2 papers)
44% identity, 76% coverage: 7:546/712 of query aligns to 17:560/562 of I3VE77

query
sites
I3VE77

K

K

D

D

W

W

E

E

A

A

-

N

L

E

A

V

E

G

K

A

E

F

L

L

R

K

V

K

S

A

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P

E

E

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R

G

K

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E

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H

H

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T

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I

E

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G

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I

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Y

Y

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A

D

A

D

D

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A

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L

E

N

D

-

I

S

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L

P

P

G

G

F

R

E

Y

P

P

F

F

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T

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R

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G

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x
Y

A
x
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T

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M

Y

Y

A

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G

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R

R

P

T

W

W

T
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T

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x
M

R
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R

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Y
x
I

A

A

G

G

F

F

S

G

T

T

A

G

E

E

A

D

S

T

N

N

A

K

F

R

Y

F

R

K

R

Y

N

L

L

I

A

A

A

Q

G

G

Q

Q

Q

T

G

G

V

I

S

S

V

T

A
x
D

F

F

D

D

L

M

A

P

T

T

H

L

R

M

G

G

Y

Y

D

D

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S

D

D

H

H

P

P

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M

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Q

D

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E

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V

G

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K

R

A

E

G

G

V

V

A

A

I

I

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D

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L

E

A

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D

M

M

K

E

I

A

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L

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L

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A

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L

D

E

R

K

I

I

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M

F

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T

M

I

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N

G

P

A

S

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A

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P

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L

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A

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F

Y

I

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V

A

A

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G

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Y

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D

R

L

D

N

K

K

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I
x
V

Q
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Q

N

A

D

D

I

I

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L

K

K

E

E

F

Y

M

M

V

A

R

Q

N

K

T

E

Y

Y

I

I

Y

Y

P

P

P

I

E

A

P

P

S

S

M

V

R

R

I

I

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V

A

R

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D

I

I

E

T

Y

Y

T

S

A

A

K

K

E

N

M

L

P

K

K
x
R

F

Y

N

N

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P

I

I

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x
N

I

I

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S

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Y

H
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H

M

I

Q

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E

E

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A

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G

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V

L

Q

Q

E

E

L

A

A

A

F

F

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T

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L

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A

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Y

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A

E

A

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A

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K

T

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G

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H

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V

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D

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R

L

L

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A

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F

A

V

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Q

M

G

N

D

F

F

M

E

E

E

A

V

A

A

K

K

L

F

R

R

A

A

A

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R

R

L

R

L

C

W

Y

T

A

R

K

I

I

M

M

Q

K

E

E

-

R

F

F

K

G

P

A

E

R

K

N

A

P

S

E

S

S

L

M

M

R

L

L

R

R

T

F

H

H

C

C

Q

Q

T

T

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A

G

A

V

A

S

T

L

L

Q

T

E

K

Q

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Q

P

Y

Y

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N

N

I

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V

V

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R

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T

A

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F

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E

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A

A

M

L

S

S

A

A

V

V

L

L

G

G

T

A

Q

Q

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S

L

L

H

H

T

T

N

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Y

D

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A

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A

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A

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Q

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Q

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V

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T

A

K

D

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V

I

D

D

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P

L

L

A

G

G

G

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S

Y

Y

V

V

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E

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L

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T

E

E

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A

E

E

K

K

K

A

I

W

F

G

E

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I

I

L

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E

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V

E

E

A

K

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G

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G

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P

F

K

Q

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K

L

Q

I

I

E

A

-

D

-

F

-

A

-

Y

E

E

A

T

A

A

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L

R

R

R

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Q

Q

A

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A

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V

-

D

-

R

-

A

G

E

Q

E

K

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P

I

V

V

I

G

G

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V

N

N

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F

R

-

L

V

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N

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E

Q

E

-

D

-

V

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K

I

I

D

E

I

I

L

H

Q

P

I

Y

D

D

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N

A

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A

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E

T

R

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-

Q

Q

V

I

K

S

R

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I

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T

V

R

R

R

A

R

E

R

R

D

D

S

E

Q

A

K

K

M

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K

Q

Q

A

A

M

L

L

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D

A

Q

L

L

A

V

D

A

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V

A

A

R

K

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D

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E

K

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N

N

L

L

L

M

A

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A

L

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E

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A

L

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K

A

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A

A

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A

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P

YPTM 76:79 (≠ RATM 63:66) binding
TMR 86:88 (≠ TVR 73:75) binding
I90 (≠ Y77) mutation to A: 6-fold decrease in catalytic efficiency with 2-hydroxyisobutyryl-CoA as substrate. 320-fold decrease in catalytic efficiency with (S)-3-hydroxybuytryl-CoA as substrate. 6-fold increase in catalytic efficiency with (R)-3-hydroxybutyryl-CoA as substrate. No change in catalytic efficiencies with pivalyl-CoA and isovaleryl-CoA as substrates.; mutation I->F,Y: Loss of activity.; mutation to L: 37-fold decrease in catalytic efficiency with 2-hydroxyisobutyryl-CoA as substrate. 290-fold decrease in catalytic efficiency with (S)-3-hydroxybuytryl-CoA as substrate. Does not show any significant activities with pivalyl-CoA and isovaleryl-CoA.; mutation to V: 100-fold decrease in catalytic efficiency with (S)-3-hydroxybuytryl-CoA as substrate. No change in catalytic efficiencies with pivalyl-CoA and isovaleryl-CoA as substrates.
D117 (≠ A104) binding ; mutation to A: 2-fold increase in catalytic efficiency with 2-hydroxyisobutyryl-CoA as substrate. Small increase in catalytic efficiency with (S)-3-hydroxybuytryl-CoA as substrate. 1800-fold increase in catalytic efficiency with (R)-3-hydroxybutyryl-CoA as substrate.; mutation to V: 1.5-fold increase in catalytic efficiency with 2-hydroxyisobutyryl-CoA as substrate. 3-fold decrease in catalytic efficiency with (S)-3-hydroxybuytryl-CoA as substrate. 1300-fold increase in catalytic efficiency with (R)-3-hydroxybutyryl-CoA as substrate. 74-fold increase in catalytic efficiency with pivalyl-CoA as substrate.
TVQ 196:198 (≠ TIQ 183:185) binding
R235 (≠ K222) binding
N240 (≠ S227) binding
H245 (= H232) binding
R284 (= R271) binding

4r3uA Crystal structure of 2-hydroxyisobutyryl-coa mutase (see paper)
44% identity, 75% coverage: 7:542/712 of query aligns to 16:555/557 of 4r3uA

query
sites
4r3uA

K

K

D

D

W

W

E

E

A

A

-

N

L

E

A

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G

K

A

E

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L

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A

D

D

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A

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D

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G

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H

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L

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-

I

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L

L

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P

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G

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R

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G

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R
x
Y

A

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M

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R

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R
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R

P

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W

W

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x
I

A

A

G

G

F

F

S

G

T

T

A

G

E

E

A

D

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T

N

N

A

K

F

R

Y

F

R

K

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L

L

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A

A

A

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G

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G

G

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x
D

F

F

D

D

L
x
M

A

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T

H

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Y

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H

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G

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V

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G

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x
E

G

G

V

V

A

A

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I

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L

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D

M

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L

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x
R

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N

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Y

H
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M

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L

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H

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C

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Q

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x
A

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A

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L

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L

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A

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L

A

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T

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A

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-

F

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E

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A

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-

D

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D

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N

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Q

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R

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A

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D

A

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L

L

A

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D

A

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V

A

A

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K

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D

G

E

K

S

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N

N

L

L

L

M

A

P

A

L

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I

E

E

A

L

A

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K

A

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A

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I

I

T

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W

G

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T

Y

Y

active site: I89 (≠ Y77), Y243 (= Y231), H244 (= H232)
binding 3-hydroxybutanoyl-coenzyme a: Y75 (≠ R63), T77 (= T65), M78 (= M66), R82 (= R70), T85 (= T73), R87 (= R75), I89 (≠ Y77), D116 (≠ A104), S164 (= S152), T166 (= T154), T195 (= T183), Q197 (= Q185), R234 (≠ K222), N236 (= N224), N239 (≠ S227), Y243 (= Y231), H244 (= H232), R283 (= R271), F287 (= F275), R327 (= R314), F328 (≠ T315), H329 (= H316), Q331 (= Q318), Q362 (= Q349)
binding S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate: Y75 (≠ R63), T77 (= T65), M78 (= M66), R82 (= R70), T85 (= T73), R87 (= R75), I89 (≠ Y77), D116 (≠ A104), S164 (= S152), T166 (= T154), T195 (= T183), Q197 (= Q185), R234 (≠ K222), N236 (= N224), N239 (≠ S227), H244 (= H232), R283 (= R271), F287 (= F275), R327 (= R314), F328 (≠ T315), H329 (= H316), Q331 (= Q318), Q362 (= Q349)
binding cobalamin: D116 (≠ A104), M119 (≠ L107), E139 (≠ A127), Q207 (≠ R195), E209 (≠ T197), E247 (= E235), A334 (≠ G321), E371 (= E358), A372 (= A359), A374 (= A361)

5cjtA Isobutyryl-coa mutase fused with bound adenosylcobalamin, gdp, mg (holo-icmf/gdp), and substrate isobutyryl-coenzyme a (see paper)
35% identity, 69% coverage: 51:542/712 of query aligns to 544:1058/1062 of 5cjtA

query
sites
5cjtA

S

N

L

V

P

P

G

G

F

S

E

F

P

P

F

Y

V

T

R

A

G

G

P

V

R
x
F

A

A

T
x
F

M

K

Y
x
R

A

E

G

G

R

E

P

D

W

P

T

T

V

-

R
|
R

Q

M

Y
x
F

A

A

G

G

F

E

S

G

T

D

A

A

E

F

A

R

S

T

N

N

A

R

F

R

Y

F

R

K

R

L

N

-

L

V

A

S

A

E

G

G

Q

M

Q

E

G

A

-

K

-
x
R

V

L

S

S

V

T

A

A

F
|
F

D

D

L

S

A

V

T

T

H
x
L

R

Y

G

G

Y

E

D

D

-

P

S

H

D

E

H

R

P

P

R

D

V

I

Q

Y

G

G

D

K

V

V

G

G

K

N

A
x
S

G

G

V

V

A

S

I

I

D

A

S

T

V

L

E

E

D

D

M

M

K

K

I

V

L

L

F

Y

D

D

G

G

I

F

P

D

L

L

D

T

R

N

-

P

-

S

I

T

S

S

V

V

S
|
S

M

M

T
|
T

M

I

N

N

G

G

A

P

V

A

I

P

P

T

I

I

L

L

A

A

S

M

F

F

I

M

V

N

A

T

G

A

E

I

E

D

Q

Q

G

Q

V

I

S

D

R

R

-

F

-

R

-

A

-

D

-

N

-

G

-

R

-

D

-

P

-

T

-

A

-

D

-

E

-

A

-

K

-

I

-

R

-

A

-

W

-

V

-

L

D

Q

K

N

L

V

S
x
R

G

G

T
|
T

I

V

Q
|
Q

N

A

D

D

I

I

L

L

K

K

E

E

F

D

M

Q

V

G

R
x
Q

N

N

T

T

Y

C

I

I

Y

F

P

S

P

T

E

E

P

F

S

S

M

L

R

K

I

V

V

M

A

G

D

D

I

I

I

Q

E

E

Y

Y

-

F

T

V

A

H

K

H

E

Q

M

V

P

R

K

N

F

F

N
x
Y

S

S

I

V

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

I

Q

A

E
|
E

A
|
A

G

G

A

A

T

N

L

P

V

I

Q

S

E

Q

L

L

A

A

F

F

T

T

L

L

A

A

D

N

G

G

R

F

E

T

Y

Y

V

V

R

E

A

A

A

Y

L

L

A

A

K

R

G

G

L

M

N

H

V

I

D

D

F

F

A

A

G

P

R

N

L

L

S
|
S

F

F

F
|
F

F

F

A

S

I

N

G

G

M

M

N

D

F

-

M

P

E

E

A

Y

A

S

K

V

L

L

-

G

R

R

A

V

A

A

R

R

L

R

L

I

W

W

T

A

R

V

I

T

M

M

Q

R

E

D

F

K

K

Y

P

G

E

A

K

N

A

D

S
x
R

S

S

L

Q

M

K

L

L

R
x
K

T

Y

H
|
H

C

I

Q

Q

T

T

S

S

G
|
G

V
x
R

S

S

L

L

Q

H

E

A

Q

Q

D

E

P

I

Y

D

N

F

N

N

I

D

V

I

R

R

T

T

A

T

F

L

E

Q

A

A

M

L

S

I

A

A

V

I

L

Y

G

D

G

N

T

C

Q

N

S

S

L

L

H

H

T

T

N

N

S

A

F

Y

D

D

E
|
E

A
|
A

M

I

A
x
T

L

T

P

P

T

T

D

A

F

E

S

S

A

V

R

R

I

R

A

A

R

L

N

A

T

I

Q

Q

L

L

I

I

L

I

Q

N

H

R

E

E

T

W

G

G

V

V

T

A

K

K

V

C

V

E

D

N

P

P

L

N

A

Q

G

G

S

S

Y

F

Y

L

V

I

E

E

S

E

L

L

T

T

N

D

E

L

L

V

A

E

E

E

K

A

A

V

W

L

G

Q

L

E

I

F

E

E

E

R

V

I

E

A

A

E

L

R

G

G

M

V

T

L

K

G

A

A

V

M

N
x
E

A

T

G

G

L

Y

P

Q

K

R

R

G

L

K

I

I

E

Q

E

E

A

E

A

S

T

L

R

Y

Q

E

A

Q

A

L

V

K

D
x
H

R

D

A

G

E

T

E

L

V

P

I

I

V

I

G

G

V

V

N

N

K

T

Y

F

R

R

L

N

E

P

N

N

E

G

Q

D

P

P

I

-

D

Q

I

T

L

L

Q

E

I

L

D

-

N

-

A

-

V

A

R

R

T

S

A

S

Q

E

V

D

K

E

R

K

I

Q

E

S

E

Q

T

L

R

H

R

R

R

L

R

T

D

E

S

F

Q

H

K

G

M

A

K

H

Q

Q

A

A

L

-

D

D

A

A

L

E

A

A

D

M

V

L

A

A

R

R

S

L

G

R

K

Q

G

A

-

V

-

I

-

D

-

N

-

R

N

N

L

V

L

F

A

A

A

V

A

L

V

M

E

D

A

A

A

V

R

R

A

V

R

-

A

C

T

S

V

L

G

G

E

Q

I

I

T

T

D

H

A

A

M

L

R

F

E

E

A

V

F

G

G

G

D

Q

Y

Y

active site: F569 (≠ Y77), Y750 (= Y231), H751 (= H232)
binding cobalamin: F598 (= F105), L603 (≠ H110), S621 (≠ A127), Q713 (≠ R195), H751 (= H232), E754 (= E235), A755 (= A236), G839 (= G321), R840 (≠ V322), E876 (= E358), A877 (= A359), T879 (≠ A361), H964 (≠ D446)
binding isobutyryl-coenzyme a: F556 (≠ R63), F558 (≠ T65), R560 (≠ Y67), R567 (= R75), F569 (≠ Y77), R593 (vs. gap), S648 (= S152), T650 (= T154), R699 (≠ S181), T701 (= T183), Q703 (= Q185), Y743 (≠ N224), Y750 (= Y231), H751 (= H232), S792 (= S273), F794 (= F275), R827 (≠ S309), K832 (≠ R314), H834 (= H316)
binding guanosine-5'-diphosphate: E944 (≠ N426)

Sites not aligning to the query:

active site: 6
binding cobalamin: 18, 19, 20, 21, 22, 26, 66, 67, 94, 96, 98, 116, 117
binding guanosine-5'-diphosphate: 199, 201, 202, 203, 204, 245, 336, 337, 339, 374, 376
binding magnesium ion: 203, 229, 242, 242, 289, 289

4xc6A Isobutyryl-coa mutase fused with bound adenosylcobalamin, gdp, and mg (holo-icmf/gdp) (see paper)
35% identity, 69% coverage: 51:542/712 of query aligns to 547:1063/1067 of 4xc6A

query
sites
4xc6A

S

N

L

V

P

P

G

G

F

S

E

F

P

P

F

Y

V

T

R

A

G

G

P

V

R

F

A

A

T

F

M

K

Y

R

A

E

G

G

R

E

P

D

W

P

T

T

V

-

R

R

Q

M

Y
x
F

A

A

G

G

F

E

S

G

T

D

A

A

E

F

A

R

S

T

N

N

A

R

F

R

Y

F

R

K

R

L

N

-

L

V

A

S

A

E

G

G

Q

M

Q

E

G

A

-

K

-

R

V

L

S

S

V

T

A

A

F
|
F

D

D

L

S

A

V

T

T

H
x
L

R

Y

G

G

Y

E

D

D

-

P

S

H

D

E

H

R

P

P

R

D

V

I

Q

Y

G

G

D

K

V

V

G

G

K

N

A
x
S

G

G

V

V

A

S

I

I

D

A

S

T

V

L

E

E

D

D

M

M

K

K

I

V

L

L

F

Y

D

D

G

G

I

F

P

D

L

L

D

T

R

N

-

P

-

S

I

T

S

S

V

V

S

S

M

M

T

T

M

I

N

N

G

G

A

P

V

A

I

P

P

T

I

I

L

L

A

A

S

M

F

F

I

M

V

N

A

T

G

A

E

I

E

D

Q

Q

G

Q

V

I

S

D

R

R

-

F

-

R

-

A

-

D

-

N

-

G

-

R

-

D

-

P

-

T

-

A

-

D

-

E

-

A

-

K

-

I

-

R

-

A

-

W

-

V

-

L

D

Q

K

N

L

V

S

R

G

G

T

T

I

V

Q

Q

N

A

D

D

I

I

L

L

K

K

E

E

F

D

M

Q

V

G

R
x
Q

N

N

T

T

Y

C

I

I

Y

F

P

S

P

T

E

E

P

F

S

S

M

L

R

K

I

V

V

M

A

G

D

D

I

I

I

Q

E

E

Y

Y

-

F

T

V

A

H

K

H

E

Q

M

V

P

R

K

N

F

F

N

Y

S

S

I

V

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

I

Q

A

E
|
E

A
|
A

G

G

A

A

T

N

L

P

V

I

Q

S

E

Q

L

L

A

A

F

F

T

T

L

L

A

A

D

N

G

G

R

F

E

T

Y

Y

V

V

R

E

A

A

A

Y

L

L

A

A

K

R

G

G

L

M

N

H

V

I

D

D

F

F

A

A

G

P

R

N

L

L

S

S

F

F

A

S

I

N

G

G

M

M

N

D

F

-

M

P

E

E

A

Y

A

S

K

V

L

L

-

G

R

R

A

V

A

A

R

R

L

R

L

I

W

W

T

A

R

V

I

T

M

M

Q

R

E

D

F

K

K

Y

P

G

E

A

K

N

A

D

S

R

S

S

L

Q

M

K

L

L

R

K

T

Y

H

H

C

I

Q

Q

T

T

S

S

G
|
G

V
x
R

S

S

L

L

Q

H

E

A

Q

Q

D

E

P

I

Y

D

N

F

N

N

I

D

V

I

R

R

T

T

A

T

F

L

E

Q

A

A

M

L

S

I

A

A

V

I

L

Y

G

D

G

N

T

C

Q

N

S

S

L

L

H

H

T

T

N

N

S

A

F

Y

D

D

E
|
E

A
|
A

M

I

A
x
T

L

T

P

P

T

T

D

A

F

E

S

S

A

V

R

R

I

R

A

A

R

L

N

A

T

I

Q

Q

L

L

I

I

L

I

Q

N

H

R

E

E

T

W

G

G

V

V

T

A

K

K

V

C

V

E

D

N

P

P

L

N

A

Q

G

G

S

S

Y

F

Y

L

V

I

E

E

S

E

L

L

T

T

N

D

E

L

L

V

A

E

E

E

K

A

A

V

W

L

G

Q

L

E

I

F

E

E

E

R

V

I

E

A

A

E

L

R

G

G

M

V

T

L

K

G

A

A

V

M

N
x
E

A

T

G

G

L

Y

P

Q

K

R

R

G

L

K

I

I

E

Q

E

E

A

E

A

S

T

L

R

Y

Q

E

A

Q

A

L

V

K

D
x
H

R

D

A

G

E

T

E

L

V

P

I

I

V

I

G

G

V

V

N

N

K

T

Y

F

R

R

L

N

E

P

N

N

E

G

Q

D

P

P

I

T

-

P

D

Q

I

T

L

L

Q

E

I

L

D

-

N

-

A

-

V

A

R

R

T

S

A

S

Q

E

V

D

K

E

R

K

I

Q

E

S

E

Q

T

L

R

H

R

R

R

L

R

T

D

E

S

F

Q

H

K

G

M

A

K

H

Q

Q

A

A

L

-

D

D

A

A

L

E

A

A

D

M

V

L

A

A

R

R

S

L

G

R

K

Q

G

A

-

V

-

I

-

D

-

N

-

R

N

N

L

V

L

F

A

A

A

V

A

L

V

M

E

D

A

A

A

V

R

R

A

V

R

-

A

C

T

S

V

L

G

G

E

Q

I

I

T

T

D

H

A

A

M

L

R

F

E

E

A

V

F

G

G

G

D

Q

Y

Y

active site: F572 (≠ Y77), Y753 (= Y231), H754 (= H232)
binding cobalamin: F601 (= F105), L606 (≠ H110), S624 (≠ A127), Q716 (≠ R195), H754 (= H232), E757 (= E235), A758 (= A236), G842 (= G321), R843 (≠ V322), E879 (= E358), A880 (= A359), T882 (≠ A361), H967 (≠ D446)
binding guanosine-5'-diphosphate: E947 (≠ N426)

Sites not aligning to the query:

active site: 6
binding cobalamin: 18, 19, 20, 21, 22, 26, 66, 67, 94, 96, 98, 116, 117, 118, 129
binding guanosine-5'-diphosphate: 199, 201, 202, 203, 204, 245, 337, 338, 340, 375, 377
binding magnesium ion: 203, 229, 242, 242, 290, 290

4xc7A Isobutyryl-coa mutase fused with bound butyryl-coa and without cobalamin or gdp (apo-icmf) (see paper)
35% identity, 69% coverage: 51:542/712 of query aligns to 541:1049/1053 of 4xc7A

query
sites
4xc7A

S

N

L

V

P

P

G

G

F

S

E

F

P

P

F

Y

V

T

R

A

G

G

P

V

R
x
F

A

A

T

F

M

K

Y
x
R

A

E

G

G

R

E

P

D

W

P

T

T

V

-

R
|
R

Q

M

Y
x
F

A

A

G

G

F

E

S

G

T

D

A

A

E

F

A

R

S

T

N

N

A

R

F

R

Y

F

R

K

R

L

N

-

L

V

A

S

A

E

G

G

Q

M

Q

E

G

A

-

K

-
x
R

V

L

S

S

V

T

A

A

F

F

D

D

L

S

A

V

T

T

H

L

R

Y

G

G

Y

E

D

D

-

P

S

H

D

E

H

R

P

P

R

D

V

I

Q

Y

G

G

D

K

V

V

G

G

K

N

A

S

G

G

V

V

A

S

I

I

D

A

S

T

V

L

E

E

D

D

M

M

K

K

I

V

L

L

F

Y

D

D

G

G

I

F

P

D

L

L

D

T

R

N

-

P

-

S

I

T

S

S

V

V

S
|
S

M

M

T
|
T

M

I

N

N

G

G

A

P

V

A

I

P

P

T

I

I

L

L

A

A

S

M

F

F

I

M

V

N

A

T

G

A

E

I

E

D

Q

Q

G

Q

V

I

S

D

R

R

-

F

-

R

-

A

-

D

-

N

-

G

-

R

-

D

-

P

-

T

-

A

-

D

-

E

-

A

-

K

-

I

-

R

-

A

-

W

-

V

-

L

D

Q

K

N

L

V

S
x
R

G

G

T
|
T

I

V

Q

Q

N

A

D

D

I

I

L

L

K

K

E

E

F

D

M

Q

V

G

R

Q

N

N

T

T

Y

C

I

I

Y

F

P

S

P

T

E

E

P

F

S

S

M

L

R

K

I

V

V

M

A

G

D

D

I

I

I

Q

E

E

Y

Y

-

F

T

V

A

H

K

H

E

Q

M

V

P

R

K

N

F

F

N
x
Y

S

S

I

V

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

I

Q

A

E

E

A

A

G

G

A

A

T

N

L

P

V

I

Q

S

E

Q

L

L

A

A

F

F

T

T

L

L

A

A

D

N

G

G

R

F

E

T

Y

Y

V

V

R

E

A

A

A

Y

L

L

A

A

K

R

G

G

L

M

N

H

V

I

D

D

F

F

A

A

G

P

R

N

L

L

S
|
S

F

F

F
|
F

F

F

A

S

I

N

G

G

M

M

N

D

F

-

M

P

E

E

A

Y

A

S

K

V

L

L

-

G

R

R

A

V

A

A

R

R

L

R

L

I

W

W

T

A

R

V

I

T

M

M

Q

R

E

D

F

K

K

Y

P

G

E

A

K

N

A

D

S
x
R

S

S

L

Q

M

K

L

L

R
x
K

T

Y

H
|
H

C

I

Q

Q

T

T

S

S

G

G

V

R

S

S

L

L

Q

H

E

A

Q

Q

D

E

P

I

Y

D

N

F

N

N

I

D

V

I

R

R

T

T

A

T

F

L

E

Q

A

A

M

L

S

I

A

A

V

I

L

Y

G

D

G

N

T

C

Q

N

S

S

L

L

H

H

T

T

N

N

S

A

F

Y

D

D

E

E

A

A

M

I

A

T

L

T

P

P

T

T

D

A

F

E

S

S

A

V

R

R

I

R

A

A

R

L

N

A

T

I

Q

Q

L

L

I

I

L

I

Q

N

H

R

E

E

T

W

G

G

V

V

T

A

K

K

V

C

V

E

D

N

P

P

L

N

A

Q

G

G

S

S

Y

F

Y

L

V

I

E

E

S

E

L

L

T

T

N

D

E

L

L

V

A

E

E

E

K

A

A

V

W

L

G

Q

L

E

I

F

E

E

E

R

V

I

E

A

A

E

L

R

G

G

M

V

T

L

K

G

A

A

V

M

N

E

A

T

G

G

L

Y

P

Q

K

R

R

G

L

K

I

I

E

Q

E

E

A

E

A

S

T

L

R

Y

Q

E

A

Q

A

L

V

K

D

H

R

D

A

G

E

T

E

L

V

P

I

I

V

I

G

G

V

V

N

N

K

T

Y

F

R

R

L

N

E

P

N

N

E

G

Q

D

P

P

I

-

D

-

I

-

L

-

Q

-

I

-

D

-

N

-

A

-

V

-

R

R

T

S

A

S

Q

E

V

D

K

E

R

K

I

Q

E

S

E

Q

T

L

R

H

R

R

R

L

R

T

D

E

S

F

Q

H

K

G

M

A

K

H

Q

Q

A

A

L

-

D

D

A

A

L

E

A

A

D

M

V

L

A

A

R

R

S

L

G

R

K

Q

G

A

-

V

-

I

-

D

-

N

-

R

N

N

L

V

L

F

A

A

A

V

A

L

V

M

E

D

A

A

A

V

R

R

A

V

R

-

A

C

T

S

V

L

G

G

E

Q

I

I

T

T

D

H

A

A

M

L

R

F

E

E

A

V

F

G

G

G

D

Q

Y

Y

active site: F566 (≠ Y77), Y747 (= Y231), H748 (= H232)
binding Butyryl Coenzyme A: F553 (≠ R63), R557 (≠ Y67), R564 (= R75), F566 (≠ Y77), R590 (vs. gap), S645 (= S152), T647 (= T154), R696 (≠ S181), T698 (= T183), Y740 (≠ N224), S789 (= S273), F791 (= F275), R824 (≠ S309), K829 (≠ R314), H831 (= H316)

Sites not aligning to the query:

active site: 5

Q1LRY0 Fused isobutyryl-CoA mutase; EC 5.4.99.13; EC 3.6.5.- from Cupriavidus metallidurans (strain ATCC 43123 / DSM 2839 / NBRC 102507 / CH34) (Ralstonia metallidurans) (see 2 papers)
35% identity, 69% coverage: 51:542/712 of query aligns to 573:1089/1093 of Q1LRY0

query
sites
Q1LRY0

S
x
N

L
x
V

P
|
P

G
|
G

F
x
S

E
x
F

P
|
P

F

Y

V

T

R

A

G

G

P

V

R

F

A

A

T
x
F

M

K

Y

R

A

E

G

G

R

E

P

D

W

P

T

T

V

-

R

R

Q

M

Y
x
F

A

A

G

G

F

E

S

G

T

D

A

A

E

F

A

R

S

T

N

N

A

R

F

R

Y

F

R

K

R

L

N

-

L

V

A

S

A

E

G

G

Q

M

Q

E

G

A

-

K

-
x
R

V

L

S

S

V

T

A

A

F

F

D

D

L

S

A

V

T

T

H

L

R

Y

G

G

Y

E

D

D

-

P

S

H

D

E

H

R

P

P

R

D

V

I

Q

Y

G

G

D

K

V

V

G

G

K

N

A

S

G

G

V

V

A

S

I

I

D

A

S

T

V

L

E

E

D

D

M

M

K

K

I

V

L

L

F

Y

D

D

G

G

I

F

P

D

L

L

D

T

R

N

-

P

-

S

I

T

S

S

V

V

S

S

M

M

T

T

M

I

N

N

G

G

A

P

V

A

I

P

P

T

I

I

L

L

A

A

S

M

F

F

I

M

V

N

A

T

G

A

E

I

E

D

Q

Q

G

Q

V

I

S

D

R

R

-

F

-

R

-

A

-

D

-

N

-

G

-

R

-

D

-

P

-

T

-

A

-

D

-

E

-

A

-

K

-

I

-

R

-

A

-

W

-

V

-

L

D

Q

K

N

L

V

S
x
R

G

G

T

T

I

V

Q

Q

N

A

D

D

I

I

L

L

K

K

E

E

F

D

M

Q

V

G

R

Q

N

N

T

T

Y

C

I

I

Y

F

P

S

P

T

E

E

P

F

S

S

M

L

R

K

I

V

V

M

A

G

D

D

I

I

I

Q

E

E

Y

Y

-

F

T

V

A

H

K

H

E

Q

M

V

P

R

K

N

F

F

N
x
Y

S

S

I

V

S

S

I

I

S

S

G

G

Y

Y

H

H

M

I

Q

A

E

E

A

A

G

G

A

A

T

N

L

P

V

I

Q

S

E

Q

L

L

A

A

F

F

T

T

L

L

A

A

D

N

G

G

R

F

E

T

Y

Y

V

V

R

E

A

A

A

Y

L

L

A

A

K

R

G

G

L

M

N

H

V

I

D

D

F

F

A

A

G

P

R

N

L

L

S
|
S

F

F

A

S

I

N

G

G

M

M

N

D

F

-

M

P

E

E

A

Y

A

S

K

V

L

L

-

G

R

R

A

V

A

A

R

R

L

R

L

I

W

W

T

A

R

V

I

T

M

M

Q

R

E

D

F

K

K

Y

P

G

E

A

K

N

A

D

S
x
R

S

S

L

Q

M

K

L

L

R
x
K

T

Y

H

H

C

I

Q

Q

T

T

S

S

G

G

V

R

S

S

L

L

Q

H

E

A

Q

Q

D

E

P

I

Y

D

N

F

N

N

I

D

V

I

R

R

T

T

A

T

F

L

E

Q

A

A

M

L

S

I

A

A

V

I

L

Y

G

D

G

N

T

C

Q

N

S

S

L

L

H

H

T

T

N

N

S

A

F

Y

D

D

E

E

A

A

M

I

A

T

L

T

P

P

T

T

D

A

F

E

S

S

A

V

R

R

I

R

A

A

R

L

N

A

T

I

Q

Q

L

L

I

I

L

I

Q

N

H

R

E

E

T

W

G

G

V

V

T

A

K

K

V

C

V

E

D

N

P

P

L

N

A

Q

G

G

S

S

Y

F

Y

L

V

I

E

E

S

E

L

L

T

T

N

D

E

L

L

V

A

E

E

E

K

A

A

V

W

L

G

Q

L

E

I

F

E

E

E

R

V

I

E

A

A

E

L

R

G

G

M

V

T

L

K

G

A

A

V

M

N
x
E

A

T

G

G

L

Y

P

Q

K

R

R

G

L

K

I

I

E

Q

E

E

A

E

A

S

T

L

R

Y

Q

E

A

Q

A

L

V

K

D

H

R

D

A

G

E

T

E

L

V

P

I

I

V

I

G

G

V

V

N

N

K

T

Y

F

R

R

L

N

E

P

N

N

E

G

Q

D

P

P

I

T

-

P

D

Q

I

T

L

L

Q

E

I

L

D

-

N

-

A

-

V

A

R

R

T

S

A

S

Q

E

V

D

K

E

R

K

I

Q

E

S

E

Q

T

L

R

H

R

R

R

L

R

T

D

E

S

F

Q

H

K

G

M

A

K

H

Q

Q

A

A

L

-

D

D

A

A

L

E

A

A

D

M

V

L

A

A

R

R

S

L

G

R

K

Q

G

A

-

V

-

I

-

D

-

N

-

R

N

N

L

V

L

F

A

A

A

V

A

L

V

M

E

D

A

A

A

V

R

R

A

V

R

-

A

C

T

S

V

L

G

G

E

Q

I

I

T

T

D

H

A

A

M

L

R

F

E

E

A

V

F

G

G

G

D

Q

Y

Y

F587 (≠ T65) binding
F598 (≠ Y77) mutation to A: Switches the substrate specificity and enhances the catalytic efficiency of the isovaleryl-CoA mutase over the native isobutyryl-CoA mutase activity about 4000-fold. Is even more susceptible to inactivation than wild-type during turnover.
R622 (vs. gap) binding
R728 (≠ S181) binding
Y772 (≠ N224) binding
S821 (= S273) binding
R856 (≠ S309) binding
K861 (≠ R314) binding
E973 (≠ N426) binding

Sites not aligning to the query:

39 binding axial binding residue
169:417 GTPase chaperone MeaI
219:224 binding
223 binding
248 binding
249 binding
262 binding ; binding
265 binding
310 binding ; binding
311 binding
357:360 binding
418:579 Linker
1092 binding

5cjvA Isobutyryl-coa mutase fused with bound adenosylcobalamin, gdp, mg (holo-icmf/gdp), and substrate isovaleryl-coenzyme a (see paper)
35% identity, 69% coverage: 51:542/712 of query aligns to 544:1057/1061 of 5cjvA

query
sites
5cjvA

S

N

L

V

P

P

G

G

F

S

E

F

P

P

F

Y

V

T

R

A

G

G

P

V

R
x
F

A

A

T
x
F

M

K

Y
x
R

A

E

G

G

R

E

P

D

W

P

T

T

V

-

R
|
R

Q

M

Y
x
F

A

A

G

G

F

E

S

G

T

D

A

A

E

F

A

R

S

T

N

N

A

R

F

R

Y

F

R

K

R

L

N

-

L

V

A

S

A

E

G

G

Q

M

Q

E

G

A

-

K

-
x
R

V

L

S

S

V

T

A

A

F
|
F

D

D

L

S

A

V

T

T

H
x
L

R

Y

G

G

Y

E

D

D

-

P

S

H

D

E

H

R

P

P

R

D

V

I

Q

Y

G

G

D

K

V

V

G

G

K

N

A
x
S

G

G

V

V

A

S

I

I

D

A

S

T

V

L

E

E

D

D

M

M

K

K

I

V

L

L

F

Y

D

D

G

G

I

F

P

D

L

L

D

T

R

N

-

P

-

S

I

T

S

S

V

V

S
|
S

M

M

T
|
T

M

I

N

N

G

G

A

P

V

A

I

P

P

T

I

I

L

L

A

A

S

M

F

F

I

M

V

N

A

T

G

A

E

I

E

D

Q

Q

G

Q

V

I

S

D

R

R

-

F

-

R

-

A

-

D

-

N

-

G

-

R

-

D

-

P

-

T

-

A

-

D

-

E

-

A

-

K

-

I

-

R

-

A

-

W

-

V

-

L

D

Q

K

N

L

V

S
x
R

G

G

T
|
T

I

V

Q
|
Q

N

A

D

D

I

I

L

L

K

K

E

E

F

D

M

Q

V

G

R
x
Q

N

N

T

T

Y

C

I

I

Y

F

P

S

P

T

E

E

P

F

S

S

M

L

R

K

I

V

V

M

A

G

D

D

I

I

I

Q

E

E

Y

Y

-

F

T

V

A

H

K

H

E

Q

M

V

P

R

K

N

F

F

N
x
Y

S

S

I

V

S

S

I

I

S

S

G

G

Y
|
Y

H
|
H

M

I

Q

A

E
|
E

A
|
A

G

G

A

A

T

N

L

P

V

I

Q

S

E

Q

L

L

A

A

F

F

T

T

L

L

A

A

D

N

G

G

R

F

E

T

Y

Y

V

V

R

E

A

A

A

Y

L

L

A

A

K

R

G

G

L

M

N

H

V

I

D

D

F

F

A

A

G

P

R

N

L

L

S
|
S

F

F

F
|
F

F

F

A

S

I

N

G

G

M

M

N

D

F

-

M

P

E

E

A

Y

A

S

K

V

L

L

-

G

R

R

A

V

A

A

R

R

L

R

L

I

W

W

T

A

R

V

I

T

M

M

Q

R

E

D

F

K

K

Y

P

G

E

A

K

N

A

D

S

R

S

S

L

Q

M

K

L

L

R
x
K

T

Y

H
|
H

C

I

Q

Q

T

T

S

S

G
|
G

V
x
R

S

S

L

L

Q

H

E

A

Q

Q

D

E

P

I

Y

D

N

F

N

N

I

D

V

I

R

R

T

T

A

T

F

L

E

Q

A

A

M

L

S

I

A

A

V

I

L

Y

G

D

G

N

T

C

Q

N

S

S

L

L

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Y

active site: F569 (≠ Y77), Y750 (= Y231), H751 (= H232)
binding cobalamin: F598 (= F105), L603 (≠ H110), S621 (≠ A127), Q713 (≠ R195), E754 (= E235), A755 (= A236), G839 (= G321), R840 (≠ V322), E876 (= E358), A877 (= A359), T879 (≠ A361), H964 (≠ D446)
binding guanosine-5'-diphosphate: E944 (≠ N426)
binding Isovaleryl-coenzyme A: F556 (≠ R63), F558 (≠ T65), R560 (≠ Y67), R567 (= R75), F569 (≠ Y77), R593 (vs. gap), S648 (= S152), T650 (= T154), R699 (≠ S181), T701 (= T183), Q703 (= Q185), Q713 (≠ R195), Y743 (≠ N224), H751 (= H232), S792 (= S273), F794 (= F275), K832 (≠ R314), H834 (= H316)

Sites not aligning to the query:

active site: 6
binding cobalamin: 18, 19, 20, 21, 22, 26, 66, 67, 94, 96, 98, 116, 117, 129
binding guanosine-5'-diphosphate: 199, 201, 202, 203, 204, 245, 336, 338, 373, 375
binding magnesium ion: 203, 229, 242, 242, 288, 288

Query Sequence

>SM_b20757 SM_b20757 methylmalonyl-CoA mutase
MTEKTIKDWEALAEKELRVSPEGLVWHTPEGIDVKPLYTSDDMSGIGHLNSLPGFEPFVR
GPRATMYAGRPWTVRQYAGFSTAEASNAFYRRNLAAGQQGVSVAFDLATHRGYDSDHPRV
QGDVGKAGVAIDSVEDMKILFDGIPLDRISVSMTMNGAVIPILASFIVAGEEQGVSRDKL
SGTIQNDILKEFMVRNTYIYPPEPSMRIVADIIEYTAKEMPKFNSISISGYHMQEAGATL
VQELAFTLADGREYVRAALAKGLNVDDFAGRLSFFFAIGMNFFMEAAKLRAARLLWTRIM
QEFKPEKASSLMLRTHCQTSGVSLQEQDPYNNIVRTAFEAMSAVLGGTQSLHTNSFDEAM
ALPTDFSARIARNTQLILQHETGVTKVVDPLAGSYYVESLTNELAEKAWGLIEEVEALGG
MTKAVNAGLPKRLIEEAATRRQAAVDRAEEVIVGVNKYRLENEQPIDILQIDNAAVRTAQ
VKRIEETRRRRDSQKMKQALDALADVARSGKGNLLAAAVEAARARATVGEITDAMREAFG
DYTAIPEVVTDIYGKAYEGDPELGVLAGRLGEATKRLGHKPKIMVAKLGQDGHDRGAKVI
ASAFGDIGFDVVAGPLFQTPEEAADLALAEEVTVIGVSSLAAGHRTLMPQLAEALKKRGG
EDIIVVCGGVIPRQDYDYLMENGVAAVFGPGTQVLDAARAVLDLIEGKRRNV

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory