SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_4067 PP_4067 methylcrotonyl-CoA carboxylase biotin-containing subunit alpha 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)

3u9sA Crystal structure of p. Aeruginosa 3-methylcrotonyl-coa carboxylase (mcc) 750 kd holoenzyme, coa complex (see paper)
74% identity, 99% coverage: 5:648/650 of query aligns to 3:620/621 of 3u9sA

query
sites
3u9sA

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active site: E263 (= E279), E276 (= E292), N278 (= N294), E284 (= E300), R326 (= R342), L502 (= L518)
binding 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal: M586 (= M614), K587 (= K615)

P9WPQ3 Biotin-dependent 3-methylcrotonyl-coenzyme A carboxylase alpha1 subunit; EC 6.3.4.14 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
47% identity, 99% coverage: 6:648/650 of query aligns to 2:652/654 of P9WPQ3

query
sites
P9WPQ3

L

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K322 (≠ A324) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

P05165 Propionyl-CoA carboxylase alpha chain, mitochondrial; PCCase subunit alpha; Propanoyl-CoA:carbon dioxide ligase subunit alpha; EC 6.4.1.3 from Homo sapiens (Human) (see 6 papers)
43% identity, 98% coverage: 9:648/650 of query aligns to 66:727/728 of P05165

query
sites
P05165

L

I

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A
|
A

C

C

R
|
R

V

V

M

I

R

R

T

T

A

C

K

K

A

K

M

M

G

G

L

I

T

K

T

T

V

V

A

A

V

I

H

H

S

S

A

D

T

V

D

D

R

A

D

S

A

S

R

V

H

H

S

V

R

K

E

M

A

A

D

D

I

E

R

A

V

V

D

C

L

V

G

G

G

P

T

A

K

P

A

T

A

S

E

K

S

S

Y

Y

L

L

L

N

V

M

D

D

K

A

L

I

L

M

A

E

A

A

A

I

K

K

A

K

S

T

G

R

A

A

Q

Q

A
|
A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

K

G

E

F

F

A

A

R

R

A

C

I

L

E

A

Q

A

A

E

G

D

L

V

I

V

F

F

L
x
I

G

G

P

P

P

D

A

T

S

H

A

A

I

I

D

Q

A

A

M

M

G

G

S

D

K

K

S

I

A

E

A

S

K

K

A

L

L

L

M

A

E

K

A

K

A

A

G

E

V

V

P

N

L

T

V

I

P

P

G

G

Y

F

H

D

G
|
G

E

V

A

V

Q

K

D

D

L

A

D

E

T

E

F

A

R

V

A

R

A

I

A

A

E

R

R

E

I

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K

K

A

A

S

S

A

A

G

G

K

K

G

G

M
|
M

K

R

V

I

V

A

E

W

E

D

S

E

Q

E

L

T

A

R

D

D

A

G

L

F

A

R

S

L

A

S

Q

S

R

Q

E

E

A

A

Q

A

S

S

F

F

G

G

D

D

A

D

R

R

M

L

L

L

V

I

E

E

K

K

Y

F

V

I

L

D

K

N

P

P

R

R

H

H

V

I

E

E

I

I

Q

Q

V

V

F

L

A

G

D

D

Q

K

H

H

G

G

N

N

C

A

L

L

Y

W

L

L

N

N

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

H

N

Q
|
Q

K

K

V

V

E

E

A

A

P

P

A

S

P

I

G

F

L

L

S

D

P

A

E

E

L

T

R

R

A

A

M

M

G

G

E

E

A

Q

A

A

V

V

R

A

A

L

A

A

Q

R

A

A

I

V

G

K

Y

Y

V

S

G

S

A

A

G

G

T

T

V

V

E

E

F

F

L

L

L

V

D

D

A

S

R

K

G

K

E

N

F

F

F

Y

F

F

M

L

E

E

M

M

N

N

T

T

R

R

L

L

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

A

C

I

I

T

T

G

G

L

L

D
|
D

L

L

V

V

A

Q

W

E

Q
x
M

I

I

R

R

V

V

A

A

C

K

G
|
G

E

Y

A

P

L

L

P

R

I

H

T

K

Q

Q

E

A

Q

D

V

I

P

R

L

I

I

N

G

G

H

W

A

A

I

V

E

E

V
x
C

R
|
R

L

V

Y

Y

A

A

E

E

D

D

P

P

A

Y

N

K

D

S

F

F

-

G

L

L

P

P

A

S

T

I

G

G

K

R

L

L

A

S

L

Q

Y

Y

R

Q

E

E

S
x
P

A

L

P

H

G

L

E

P

G

G

R

V

R

R

V

V

D

D

S

S

G

G

V

I

S

Q

E

P

G

G

D

S

V

D

V

I

S

S

P

I

F

Y

Y

Y

D

D

P

P

M

M

L

I

G

S

K

K

L

L

I

I

A

T

W

Y

G

G

E

S

D

D

R

R

E

T

Q

E

A

A

R

L

L

K

R

R

L

M

L

A

A

D

M

A

L

L

D

D

E

N

F

Y

A

V

I

I

G

R

G

G

L

V

K

T

T

H

N

N

I

I

A

A

F

L

L

L

R

R

R

E

I

V

L

I

A

I

H

N

P

S

A

R

F

F

A

V

A

K

A

G

E

D

L

I

D

S

T

T

G

K

F

F

I

L

-

S

-

D

-

V

-

Y

-

P

-

D

-

G

-

F

-

K

-

G

-

H

-

M

-

L

-

T

P

K

R

S

H

E

Q

K

D

N

V

Q

L

L

P

A

A

I

P

A

R

S

A

S

L
|
L

P

F

A

V

A

A

F

F

W

-

E

-

A

-

E

-

A

-

W

-

L

-

Q

Q

G

L

Q

R

A

A

G

Q

H

H

Q

F

R

Q

E

E

D

N

D

S

R

R

H

M

S

P

P
x
V

W

I

S

K

G

P

S

D

-

I

N

A

G

N

L
x
W

R

E

L

L

G

S

L

V

P

K

A

L

R

H

S

D

S

K

L

V

H

H

L

T

V

V

S

V

A

A

G

S

Q

N

D

N

Q

G

A

S

V

V

-

F

-

S

-

V

-

E

-

V

-

D

A

G

L

S

E

K

R

L

S

N

A

V

A

T

S

S

T

T

W

W

Q

N

L

L

Q

A

G

S

E

P

Q

L

L

L

V

S

H

V

D

S

Q

V

N

D

G

G

V

T

R

Q

R

R

-

T

-

V

Q

Q

H

C

L

L

A

S

I

R

R

E

R

A

G

G

T

N

L

M

Y

S

L

I

H

Q

W

F

E

L

G
|
G

E

T

M

V

H

Y

A

K

I

V

E

N

A

I

F

L

D

T

P

R

I

L

A

A

E

A

-

E

-

L

-

N

-

K

-

F

-

M

-

L

A

E

E

K

A

V

S

T

H

E

S

D

H

T

Q

S

G

S

G

V

L

L

G

R

A

S

P

P

M

M

N

P

G
|
G

S

V

I

V

V

V

R

A

V

V

L

S

V

V

E

K

P

P

G

G

Q

D

V

A

V

V

E

A

A

E

G

G

T

Q

A

E

L

I

L

C

V

V

L

I

E

E

A

A

M

M

K
|
K

M

M

E

Q

H

N

S

S

I

M

R

T

A

A

P

G

H

K

A

T

G

G

T

T

V

V

K

K

A

S

L

V

F

H

C
|
C

L

Q

E

A

G

G

D

D

M

T

V

V

S

G

E

E

G

G

T

D

V

L

L

L

V

V

E

E

L

L

A75 (= A18) to P: in PA-1; dbSNP:rs794727479
R77 (= R20) to W: in PA-1; loss of function; dbSNP:rs141371306
A138 (= A81) to T: in PA-1; loss of function; dbSNP:rs202247814
I164 (≠ L107) to T: in PA-1; loss of function; dbSNP:rs202247815
G197 (= G140) to E: in PA-1
M229 (= M172) to K: in PA-1; dbSNP:rs375628794
Q297 (= Q240) to R: in PA-1
D368 (= D311) to G: in PA-1
M373 (≠ Q316) to K: in PA-1; unstable protein; loss of function; dbSNP:rs121964958
G379 (= G322) to V: in PA-1; dbSNP:rs794727087
C398 (≠ V341) to R: in PA-1
R399 (= R342) to Q: in PA-1; dbSNP:rs1301904623
P423 (≠ S365) to L: in PA-1; dbSNP:rs1443858896
L532 (= L460) natural variant: Missing (in PA-1)
V551 (≠ P488) to F: in dbSNP:rs61749895
W559 (≠ L495) to L: in PA-1; dbSNP:rs118169528
G631 (= G559) to R: in PA-1; loss of function; dbSNP:rs796052018
G668 (= G589) to R: in PA-1; loss of biotinylation; dbSNP:rs771438170
K694 (= K615) modified: N6-biotinyllysine; by HLCS
C712 (= C633) natural variant: Missing (in PA-1; loss of biotinylation)

Sites not aligning to the query:

1:52 modified: transit peptide, Mitochondrion

Q5LUF3 Propionyl-CoA carboxylase alpha chain; EC 6.4.1.3 from Ruegeria pomeroyi (strain ATCC 700808 / DSM 15171 / DSS-3) (Silicibacter pomeroyi) (see paper)
51% identity, 68% coverage: 6:446/650 of query aligns to 2:461/681 of Q5LUF3

query
sites
Q5LUF3

L

F

T

N

T

K

L

I

L

L

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

C

R

R

V

V

M

I

R

K

T

T

A

A

K

R

A

K

M

M

G

G

L

I

T

S

T

T

V

V

A

A

V

I

H

Y

S

S

A

D

T

A

D

D

R

K

D

Q

A

A

R

L

H

H

S

V

R

Q

E

M

A

A

D

D

I

E

R

A

V

V

D

H

L

I

G

G

G

P

T

P

K

P

A

A

A

N

E

Q

S

S

Y

Y

L

I

L

V

V

I

D

D

K

K

L

V

L

M

A

A

A

I

K

R

A

A

S

T

G

G

A

A

Q

Q

A

A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

S

G

K

F

F

A

A

R

E

A

A

I

L

E

E

Q

A

A

E

G

G

L

V

I

I

F

F

L

V

G

G

P

P

A

K

S

G

A

A

I

I

D

E

A

A

M

M

G

G

S

D

K

K

S

I

A

T

A

S

K

K

A

K

L

I

M

A

E

Q

A

E

A

A

G

N

V

V

P

S

L

T

V

V

P

P

G

G

Y

Y

H

M

G

G

E

L

A

I

Q

E

D

D

L

A

D

D

T

E

F

A

R

V

A

K

A

I

A

S

E

N

R

Q

I

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K

K

A

A

S

S

A

A

G

G

K

K

G

G

M

M

K

R

V

I

V

A

E

W

E

N

E

D

S

Q

Q

E

L

A

A

R

D

E

A

G

L

F

A

Q

S

S

A

S

Q

K

R

N

E

E

A

A

Q

A

S

N

S

S

F

F

G

G

D

D

A

D

R

R

M

I

L

F

V

I

E

E

K

K

Y

F

V

V

L

T

K

Q

P

P

R

R

H

H

V

I

E

E

I

I

Q

Q

V

V

F

L

A

C

D

D

Q

S

H

H

G

G

N

N

C

G

L

I

Y

Y

L

L

N

G

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

H

N

Q

Q

K

K

V

V

E

E

A

A

P

P

A

S

P

P

G

F

L

L

S

D

P

E

E

A

L

T

R

R

A

A

M

M

G

G

E

E

A

Q

A

A

V

V

R

A

A

L

A

A

Q

K

A

A

I

V

G

G

Y

Y

V

A

G

S

A

A

G

G

T

T

V

V

E

E

F

F

L

I

L

V

D

D

A

G

R

Q

G

K

E

N

F

F

F

Y

F

F

M

L

E

E

M

M

N

N

T

T

R

R

L

L

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

A

L

I

I

T

T

G

G

L

V

D

D

L

L

V

V

A

E

W

Q

Q

M

I

I

R

R

V

V

A

A

C

A

G

G

E

E

A

P

L

L

P

S

I

I

T

T

Q

Q

E

G

Q

D

V

V

P

K

L

L

I

T

G

G

H

W

A

A

I

I

E

E

V

N

R

R

L

L

Y

Y

A

A

E

E

D

D

P

P

A

Y

N

R

D

G

F
|
F

L

L

P

P

A

S

T

I

G

G

K

R

L

L

A

T

L

R

Y

Y

R

R

-

P

-

A

E

E

S

T

A

A

P

A

G

G

-

P

-

L

-

V

E

N

G

G

R

K

-

W

-

Q

-

G

-

D

-

A

-

P

-

S

-

G

-

E

-

A

-

V

R

R

V

N

D

D

S

T

G

G

V

V

S

Y

E

E

G

G

D

G

V

E

V

I

S

S

P

M

F

Y

Y

Y

D

D

P

P

M

M

L

I

G

A

K

K

L

L

I

C

A

T

W

W

G

A

E

P

D

T

R

R

E

A

Q

A

A

A

R

I

L

E

R

A

L

M

L

R

A

I

M

A

L

L

D

D

E

S

F

F

A

E

I

V

G

E

G

G

L

I

K

G

T

H

N

N

I

L

A

P

F

F

L

L

R

S

R

A

I

V

L

M

A

D

H

H

P

P

A

K

F

F

A

I

A

S

A

G

E

D

L

M

D

T

T

T

G

A

F

F

I

I

F348 (= F352) binding

Sites not aligning to the query:

515 W→L: No effect on holoenzyme formation.
599 L→A: Loss of holoenzyme formation; when associated with A-602 and A-603.
602 L→A: Loss of holoenzyme formation; when associated with A-602 and A-603.
603 M→A: No effect on holoenzyme formation. Loss of holoenzyme formation; when associated with A-602 and A-603.
647 modified: N6-biotinyllysine

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
53% identity, 66% coverage: 6:436/650 of query aligns to 2:428/444 of 2vr1A

query
sites
2vr1A

L

L

T

D

T

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

V

I

M

L

R

R

T

A

A

C

K

K

A

E

M

L

G

G

L

I

T

K

T

T

V

V

A

A

V

V

H

H

S

S

A

S

T

A

D

D

R

R

D

D

A

L

R

K

H

H

S

V

R

L

E

L

A

A

D

D

I

E

R

T

V

V

D

C

L

I

G

G

G

P

T

A

K

P

A

S

A

V

E

K

S

S

Y

Y

L

L

L

N

V

I

D

P

K

A

L

I

A

S

A

A

K

E

A

I

S

T

G

G

A

A

Q

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

G

N

F

F

A

A

R

E

A

Q

I

V

E

E

Q

R

A

S

G

G

L

F

I

I

F

F

L

I

G

G

P

P

P

K

A

A

S

E

A

T

I

I

D

R

A

L

M

M

G

G

S

D

K
|
K

S

V

A

S

A

A

K

I

A

A

L

A

M

M

E

K

A

K

A

A

G

G

V

V

P

P

L

C

V

V

P

P

G

G

Y

S

H

D

G

G

E

P

-

L

A

G

Q

D

D

D

L

M

D

D

T

K

F

N

R

R

A

A

A

I

A

A

E

K

R

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

-

G

-

G

G

G
|
G

K
x
R

G

G

M
|
M

K

R

V

V

E

R

E

G

E

D

S

A

Q

E

L

L

A

A

D

Q

A

S

L

I

A

S

S

M

A

T

Q

R

R

A

E

E

A

A

Q

K

S

A

F

F

G

S

D

N

A
x
D

R

M

M

V

L

Y

V

M

E
|
E

K
|
K

Y
|
Y

V
x
L

L

E

K

N

P

P

R

R

H
|
H

V

V

E

E

I

I

Q

Q

V

V

F

L

A

A

D

D

Q

G

H

Q

G

G

N

N

C

A

L

I

Y

Y

L

L

N

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

E

E

A

A

P

P

A

A

P

P

G

G

L

I

S

T

P

P

E

E

L

L

R

R

A

Y

M

I

G

G

E

E

A

R

A

C

V

A

R

K

A

A

A

C

Q

V

A

D

I

I

G

G

Y

Y

V

R

G

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

D

E

A

-

R

N

G

G

E

E

F

F

F

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

A

M

I

I

T

T

G

G

L

V

D

D

L

L

V

I

A

K

W

E

Q

Q

I

L

R

R

V

I

A

A

C

A

G

G

E

Q

A

P

L

L

P

S

I

I

T

K

Q

Q

E

E

Q

E

V

V

P

H

L

V

I

R

G

G

H

H

A

A

I

V

E

E

V

C

R
|
R

L

I

Y

N

A

A

E

E

D

D

P

P

A

-

N

N

D

T

F

F

L

L

P

P

A

S

T

P

G

G

K

K

L

I

A

T

L

-

Y

-

R

R

E

F

S

H

A

A

P

P

G

G

E

G

-

F

G

G

R

V

R

R

V

W

D

E

S

S

G

H

V

I

S

Y

E

A

G

G

D

Y

V

T

V

V

S

P

P

P

F

Y

Y

Y

D

D

P

S

M

M

L

I

G

G

K

K

L

L

I

I

A

C

W

Y

G

G

E

E

D

N

R

R

E

D

Q

V

A

A

R

I

L

A

R

R

L

M

L

K

A

N

M

A

L

L

D

Q

E

E

F

L

A

I

I

I

G

D

G

G

L

I

K

K

T

T

N

N

I

V

A

D

F

L

L

Q

R

I

R

R

I

I

L

M

A

N

H

D

P

E

A

N

F

F

active site: K116 (= K120), K159 (= K162), D194 (≠ A199), H207 (= H212), R233 (= R238), T272 (= T277), E274 (= E279), E286 (= E292), N288 (= N294), R290 (= R296), E294 (= E300), R336 (= R342)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K116 (= K120), I157 (≠ L160), K159 (= K162), G164 (= G169), R165 (≠ K170), M167 (= M172), E199 (= E204), K200 (= K205), Y201 (= Y206), L202 (≠ V207), Q231 (= Q236), H234 (= H239), E274 (= E279), L276 (= L281), E286 (= E292), N288 (= N294)

Sites not aligning to the query:

binding phosphodifluoromethylphosphonic acid-adenylate ester: 435

3n6rG Crystal structure of the holoenzyme of propionyl-coa carboxylase (pcc) (see paper)
51% identity, 68% coverage: 6:446/650 of query aligns to 1:426/646 of 3n6rG

query
sites
3n6rG

L

F

T

N

T

K

L

I

L

L

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

C

R

R

V

V

M

I

R

K

T

T

A

A

K

R

A

K

M

M

G

G

L

I

T

S

T

T

V

V

A

A

V

I

H

Y

S

S

A

D

T

A

D

D

R

K

D

Q

A

A

R

L

H

H

S

V

R

Q

E

M

A

A

D

D

I

E

R

A

V

V

D

H

L

I

G

G

G

P

T

P

K

P

A

A

A

N

E

Q

S

S

Y

Y

L

I

L

V

V

I

D

D

K

K

L

V

L

M

A

A

A

I

K

R

A

A

S

T

G

G

A

A

Q

Q

A

A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

S

G

K

F

F

A

A

R

E

A

A

I

L

E

E

Q

A

A

E

G

G

L

V

I

I

F

F

L

V

G

G

P

P

A

K

S

G

A

A

I

I

D

E

A

A

M

M

G

G

S

D

K
|
K

S

I

A

T

A

S

K

K

A

K

L

I

M

A

E

Q

A

E

A

A

G

N

V

V

P

S

L

T

V

V

P

P

G

G

Y

Y

H

M

G

G

E

L

A

I

Q

E

D

D

L

A

D

D

T

E

F

A

R

V

A

K

A

I

A

S

E

N

R

Q

I

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K
|
K

A

A

S

S

A

A

G

-

K

-

G

-

M

M

K

R

V

I

V

A

E

W

E

N

E

D

S

Q

Q

E

L

-

A

-

D

-

A

-

L

-

A

-

S

-

A

-

Q

A

R

R

E

E

A

G

Q

F

S

Q

S

S

F

S

G

K

D

N

A
x
D

R

R

M

I

L

F

V

I

E

E

K

K

Y

F

V

V

L

T

K

Q

P

P

R

R

H
|
H

V

I

E

E

I

I

Q

Q

V

V

F

L

A

C

D

D

Q

S

H

H

G

G

N

N

C

G

L

I

Y

Y

L

L

N

G

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

R
|
R

H

N

Q

Q

K

K

V

V

E

E

A

A

P

P

A

S

P

P

G

F

L

L

S

D

P

E

E

A

L

T

R

R

A

A

M

M

G

G

E

E

A

Q

A

A

V

V

R

A

A

L

A

A

Q

K

A

A

I

V

G

G

Y

Y

V

A

G

S

A

A

G

G

T
|
T

V

V

E
|
E

F

F

L

I

L

V

D

D

A

G

R

Q

G

K

E

N

F

F

F

Y

F

F

M

L

E
|
E

M

M

N
|
N

T

T

R
|
R

L

L

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

A

L

I

I

T

T

G

G

L

V

D

D

L

L

V

V

A

E

W

Q

Q

M

I

I

R

R

V

V

A

A

C

A

G

G

E

E

A

P

L

L

P

S

I

I

T

T

Q

Q

E

G

Q

D

V

V

P

K

L

L

I

T

G

G

H

W

A

A

I

I

E

E

V

N

R
|
R

L

L

Y

Y

A

A

E

E

D

D

P

P

A

Y

N

R

D

G

F

F

L

L

P

P

A

S

T

I

G

G

K

R

L

L

A

T

L

R

Y

Y

R

R

E

P

S

P

A

A

P

E

G

A

E

A

G

V

R

R

R

N

V

-

D

D

S

T

G

G

V

V

S

Y

E

E

G

G

D

G

V

E

V

I

S

S

P

M

F

Y

Y

Y

D

D

P

P

M

M

L

I

G

A

K

K

L

L

I

C

A

T

W

W

G

A

E

P

D

T

R

R

E

A

Q

A

A

A

R

I

L

E

R

A

L

M

L

R

A

I

M

A

L

L

D

D

E

S

F

F

A

E

I

V

G

E

G

G

L

I

K

G

T

H

N

N

I

L

A

P

F

F

L

L

R

S

R

A

I

V

L

M

A

D

H

H

P

P

A

K

F

F

A

I

A

S

A

G

E

D

L

M

D

T

T

T

G

A

F

F

I

I

active site: K115 (= K120), K157 (= K162), D180 (≠ A199), H193 (= H212), R219 (= R238), T258 (= T277), E260 (= E279), E273 (= E292), N275 (= N294), R277 (= R296), E281 (= E300), R323 (= R342)

Sites not aligning to the query:

active site: 519
binding 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal: 611, 612

3jzfB Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazoles series (see paper)
53% identity, 67% coverage: 3:436/650 of query aligns to 1:432/447 of 3jzfB

query
sites
3jzfB

R

R

P

H

A

M

L

L

T

D

T

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

V

I

M

L

R

R

T

A

A

C

K

K

A

E

M

L

G

G

L

I

T

K

T

T

V

V

A

A

V

V

H

H

S

S

A

S

T

A

D

D

R

R

D

D

A

L

R

K

H

H

S

V

R

L

E

L

A

A

D

D

I

E

R

T

V

V

D

C

L

I

G

G

G

P

T

A

K

P

A

S

A

V

E

K

S

S

Y

Y

L

L

L

N

V

I

D

P

K

A

L

I

A

S

A

A

K

E

A

I

S

T

G

G

A

A

Q

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

G

N

F

F

A

A

R

E

A

Q

I

V

E

E

Q

R

A

S

G

G

L

F

I

I

F

F

L

I

G

G

P

P

P

K

A

A

S

E

A

T

I

I

D

R

A

L

M

M

G

G

S

D

K
|
K

S

V

A

S

A

A

K

I

A

A

L

A

M

M

E

K

A

K

A

A

G

G

V

V

P

P

L

C

V

V

P

P

G

G

Y

S

H

D

G

G

E

P

-

L

A

G

Q

D

D

D

L

M

D

D

T

K

F

N

R

R

A

A

A

I

A

A

E

K

R

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A
|
A

S

S

A

G

G
|
G

K
x
R

G
|
G

M
|
M

K

R

V

V

E

R

E

G

E

D

S

A

Q

E

L

L

A

A

D

Q

A

S

L

I

A

S

S

M

A

T

Q

R

R

A

E

E

A

A

Q

K

S

A

F

F

G

S

D

N

A
x
D

R

M

M

V

L
x
Y

V

M

E
|
E

K
|
K

Y
|
Y

V
x
L

L

E

K

N

P

P

R

R

H
|
H

V

V

E

E

I

I

Q

Q

V

V

F

L

A

A

D

D

Q

G

H

Q

G

G

N

N

C

A

L

I

Y

Y

L

L

N

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

E

E

A

A

P

P

A

A

P

P

G

G

L

I

S

T

P

P

E

E

L

L

R

R

A

Y

M

I

G

G

E

E

A

R

A

C

V

A

R

K

A

A

A

C

Q

V

A

D

I

I

G

G

Y

Y

V

R

G

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

D

E

A

-

R

N

G

G

E

E

F

F

F

Y

F

F

M
x
I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

A

M

I

I

T

T

G

G

L

V

D

D

L

L

V

I

A

K

W

E

Q

Q

I

L

R

R

V

I

A

A

C

A

G

G

E

Q

A

P

L

L

P

S

I

I

T

K

Q

Q

E

E

Q

E

V

V

P

H

L

V

I

R

G

G

H

H

A

A

I

V

E

E

V

C

R
|
R

L

I

Y

N

A

A

E

E

D

D

P

P

A

-

N

N

D

T

F

F

L

L

P

P

A

S

T

P

G

G

K

K

L

I

A

T

L

-

Y

-

R

R

E

F

S

H

A

A

P

P

G

G

E

G

-

F

G

G

R

V

R

R

V

W

D

E

S

S

G

H

V

I

S

Y

E

A

G

G

D

Y

V

T

V

V

S

P

P

P

F

Y

Y

Y

D

D

P

S

M

M

L

I

G

G

K

K

L

L

I

I

A

C

W

Y

G

G

E

E

D

N

R

R

E

D

Q

V

A

A

R

I

L

A

R

R

L

M

L

K

A

N

M

A

L

L

D

Q

E

E

F

L

A

I

I

I

G

D

G

G

L

I

K

K

T

T

N

N

I

V

A

D

F

L

L

Q

R

I

R

R

I

I

L

M

A

N

H

D

P

E

A

N

F

F

active site: K118 (= K120), K161 (= K162), D198 (≠ A199), H211 (= H212), R237 (= R238), T276 (= T277), E278 (= E279), E290 (= E292), N292 (= N294), R294 (= R296), E298 (= E300), R340 (= R342)
binding 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide: K118 (= K120), I159 (≠ L160), K161 (= K162), A162 (= A163), G165 (= G166), G166 (= G167), G167 (= G168), G168 (= G169), R169 (≠ K170), G170 (= G171), M171 (= M172), Y201 (≠ L202), E203 (= E204), K204 (= K205), Y205 (= Y206), L206 (≠ V207), H211 (= H212), Q235 (= Q236), H238 (= H239), L280 (= L281), I289 (≠ M291), E290 (= E292)

Sites not aligning to the query:

binding 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide: 439

3rupA Crystal structure of e.Coli biotin carboxylase in complex with two adp and two ca ions (see paper)
53% identity, 66% coverage: 6:436/650 of query aligns to 2:430/444 of 3rupA

query
sites
3rupA

L

L

T

D

T

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

V

I

M

L

R

R

T

A

A

C

K

K

A

E

M

L

G

G

L

I

T

K

T

T

V

V

A

A

V

V

H

H

S

S

A

S

T

A

D

D

R

R

D

D

A

L

R

K

H

H

S

V

R

L

E

L

A

A

D

D

I

E

R

T

V

V

D

C

L

I

G

G

G

P

T

A

K

P

A

S

A

V

E

K

S

S

Y

Y

L

L

L

N

V

I

D

P

K

A

L

I

A

S

A

A

K

E

A

I

S

T

G

G

A

A

Q

V

A

A

I

I

H

H

P

P

G

G

Y
|
Y

G
|
G

F

F

L

L

S

S

E
|
E

N

N

A

A

G

N

F

F

A

A

R

E

A

Q

I

V

E

E

Q

R

A

S

G

G

L

F

I

I

F

F

L

I

G

G

P

P

P

K

A

A

S

E

A

T

I

I

D

R

A

L

M

M

G

G

S

D

K
|
K

S

V

A

S

A

A

K

I

A

A

L

A

M

M

E

K

A

K

A

A

G

G

V

V

P

P

L

C

V

V

P

P

G

G

Y

S

H

D

G

G

E

P

-

L

A

G

Q

D

D

D

L

M

D

D

T

K

F

N

R

R

A

A

A

I

A

A

E

K

R

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A
x
G

G
|
G

K
x
R

G

G

M
|
M

K

R

V

V

E

R

E

G

E

D

S

A

Q

E

L

L

A

A

D

Q

A

S

L

I

A

S

S

M

A

T

Q

R

R

A

E

E

A

A

Q

K

S

A

F
|
F

G

S

D

N

A
x
D

R

M

M

V

L

Y

V

M

E
|
E

K
|
K

Y
|
Y

V
x
L

L

E

K

N

P

P

R

R

H
|
H

V

V

E

E

I

I

Q

Q

V

V

F

L

A

A

D

D

Q

G

H

Q

G

G

N

N

C

A

L

I

Y

Y

L

L

N

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

H
|
H

Q
|
Q

K
|
K

V

V

E

E

A

A

P

P

A

A

P

P

G

G

L

I

S

T

P

P

E

E

L

L

R

R

A

Y

M

I

G

G

E

E

A

R

A

C

V

A

R

K

A

A

A

C

Q

V

A

D

I

I

G

G

Y

Y

V

R

G

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

D

E

A

-

R

N

G

G

E

E

F

F

F

Y

F

F

M
x
I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

A

M

I

I

T

T

G

G

L

V

D

D

L

L

V

I

A

K

W

E

Q

Q

I

L

R

R

V

I

A

A

C

A

G

G

E

Q

A

P

L

L

P

S

I

I

T

K

Q

Q

E

E

Q

E

V

V

P

H

L

V

I

R

G

G

H

H

A

A

I

V

E

E

V

C

R
|
R

L

I

Y

N

A

A

E

E

D

D

P

P

A

-

N

N

D

T

F

F

L

L

P

P

A

S

T

P

G

G

K

K

L

I

A

T

L

-

Y

-

R

R

E

F

S

H

A

A

P

P

G

G

E

G

-

F

G

G

R

V

R

R

V

W

D

E

S

S

G

H

V

I

S

Y

E

A

G

G

D

Y

V

T

V

V

S

P

P

P

F

Y

Y

Y

D
|
D

P

S

M

M

L

I

G

G

K

K

L

L

I

I

A

C

W

Y

G

G

E

E

D

N

R

R

E

D

Q

V

A

A

R

I

L

A

R

R

L

M

L

K

A

N

M

A

L

L

D

Q

E

E

F

L

A

I

I

I

G

D

G

G

L

I

K

K

T

T

N

N

I

V

A

D

F

L

L

Q

R

I

R

R

I

I

L

M

A

N

H

D

P

E

A

N

F

F

active site: K116 (= K120), K159 (= K162), D196 (≠ A199), H209 (= H212), R235 (= R238), T274 (= T277), E276 (= E279), E288 (= E292), N290 (= N294), R292 (= R296), E296 (= E300), R338 (= R342)
binding adenosine-5'-diphosphate: Y82 (= Y86), G83 (= G87), E87 (= E91), K116 (= K120), I157 (≠ L160), K159 (= K162), G162 (≠ A165), G163 (= G166), G164 (= G167), G164 (= G167), G165 (= G168), G165 (= G168), G166 (= G169), R167 (≠ K170), M169 (= M172), F193 (= F196), E201 (= E204), K202 (= K205), Y203 (= Y206), L204 (≠ V207), H209 (= H212), Q233 (= Q236), H236 (= H239), Q237 (= Q240), K238 (= K241), L278 (= L281), I287 (≠ M291), E288 (= E292), N290 (= N294), R292 (= R296), Q294 (= Q298), V295 (= V299), E296 (= E300), R338 (= R342), D382 (= D388)
binding calcium ion: E87 (= E91), E276 (= E279), E288 (= E292), E288 (= E292), N290 (= N294)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 437

3g8cA Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, adp and mg ion (see paper)
53% identity, 66% coverage: 6:436/650 of query aligns to 2:430/444 of 3g8cA

query
sites
3g8cA

L

L

T

D

T

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

V

I

M

L

R

R

T

A

A

C

K

K

A

E

M

L

G

G

L

I

T

K

T

T

V

V

A

A

V

V

H

H

S

S

A

S

T

A

D

D

R

R

D

D

A

L

R

K

H

H

S

V

R

L

E

L

A

A

D

D

I

E

R

T

V

V

D

C

L

I

G

G

G

P

T

A

K

P

A

S

A

V

E

K

S

S

Y

Y

L

L

L

N

V

I

D

P

K

A

L

I

A

S

A

A

K

E

A

I

S

T

G

G

A

A

Q

V

A

A

I

I

H

H

P

P

G

G

Y
|
Y

G
|
G

F
|
F

L

L

S

S

E

E

N

N

A

A

G

N

F

F

A

A

R

E

A

Q

I

V

E

E

Q

R

A

S

G

G

L

F

I

I

F

F

L

I

G

G

P

P

P

K

A

A

S

E

A

T

I

I

D

R

A

L

M

M

G

G

S

D

K
|
K

S

V

A

S

A

A

K

I

A

A

L

A

M

M

E

K

A

K

A

A

G

G

V

V

P

P

L

C

V

V

P

P

G

G

Y

S

H

D

G

G

E

P

-

L

A

G

Q

D

D

D

L

M

D

D

T

K

F

N

R

R

A

A

A

I

A

A

E

K

R

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

G

G
|
G

G

G

K

R

G

G

M
|
M

K

R

V

V

E

R

E

G

E

D

S

A

Q

E

L

L

A

A

D

Q

A

S

L

I

A

S

S

M

A

T

Q

R

R

A

E

E

A

A

Q

K

S

A

F

F

G

S

D

N

A
x
D

R

M

M

V

L

Y

V

M

E
|
E

K
|
K

Y
|
Y

V
x
L

L

E

K

N

P

P

R

R

H
|
H

V

V

E

E

I

I

Q

Q

V

V

F

L

A

A

D

D

Q

G

H

Q

G

G

N

N

C

A

L

I

Y

Y

L

L

N

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K
|
K

V

V

E

E

A

A

P

P

A

A

P

P

G

G

L

I

S

T

P

P

E

E

L

L

R

R

A

Y

M

I

G

G

E

E

A

R

A

C

V

A

R

K

A

A

A

C

Q

V

A

D

I

I

G

G