SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_017548412.1 NCBI__GCF_000330705.1:WP_017548412.1 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)

Q9JZG1 2-isopropylmalate synthase; Alpha-IPM synthase; Alpha-isopropylmalate synthase; EC 2.3.3.13 from Neisseria meningitidis serogroup B (strain ATCC BAA-335 / MC58) (see 2 papers)
47% identity, 98% coverage: 3:508/515 of query aligns to 6:510/517 of Q9JZG1

query
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Q9JZG1

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D16 (= D13) binding Mn(2+)
H204 (= H201) binding Mn(2+)
H206 (= H203) binding Mn(2+)
N240 (= N237) binding Mn(2+)

Sites not aligning to the query:

366:517 Required for the condensation reaction. Not required to bind substrate

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
48% identity, 73% coverage: 4:378/515 of query aligns to 85:474/506 of Q9FG67

query
sites
Q9FG67

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S102 (≠ N21) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ S199) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
48% identity, 73% coverage: 4:378/515 of query aligns to 18:407/409 of 6e1jA

query
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G

I
|
I

H

H

Q

Q

D
|
D

G

G

V

I

L

L

K
|
K

N

N

A

R

E

S

T

T

Y

Y

E

E

I

I

T

S

P

P

E

E

L

D

V

V

G

G

V

V

-

V

-

K

S

S

S

Q

N

N

T

S

-

G

L

I

F

V

M

L

G

G

K

K

H
x
L

S

S

G

G

K
x
R

H
|
H

A

A

F

V

K

K

D

G

K

R

V

L

K

K

E

E

F

L

G

G

V

Y

E

E

M

I

T

S

D

D

E

E

E

K

V

L

K

N

S

E

T

V

F

F

R

S

R

R

F

F

K

R

E

D

L

L

T

T

D

K

H

Q

K

K

R

K

E

R

V

V

T

T

D

D

I

L

Y

K

T

A

L

L

I

V

binding coenzyme a: Q30 (= Q16), F60 (= F46), S63 (≠ A49), I95 (≠ L72), R97 (= R74), F121 (= F98), K132 (= K109), L133 (= L110), S322 (= S296), G323 (= G297), I324 (= I298), D327 (= D301), K331 (= K305), L359 (≠ H330), R362 (≠ K333), H363 (= H334)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (= P168), T194 (= T170), H225 (= H201), H227 (= H203)
binding manganese (ii) ion: D27 (= D13), V82 (vs. gap), E84 (vs. gap), H225 (= H201), H227 (= H203)

P0DO78 Methylthioalkylmalate synthase 1-2, chloroplastic; EjMAM1-2; EC 2.3.3.17 from Eutrema japonicum (Wasabi plant) (Eutrema wasabi) (see paper)
48% identity, 73% coverage: 4:378/515 of query aligns to 85:474/503 of P0DO78

query
sites
P0DO78

I

V

R

R

I

V

F

F

D

D

T

T

L

L

R
|
R

D
|
D

G

G

E

E

Q

Q

S

A

P

P

G

G

V

G

N

A

L

L

N

T

K

P

M

P

E

Q

K

K

L

L

E

E

I

I

A

A

K

R

Q

K

L

L

E

A

K

K

L

L

G

R

V

V

D

D

V

V

M

M

E

E

A

V

G

G

F

F

P

P

A

G

A

S

S

S

E

E

G

E

D

E

F

F

Q

E

A

T

V

V

R

K

L

T

I

I

A

A

D

K

T

T

V

V

T

G

D

N

-

E

-

V

-

D

-

E

-

T

-

G

-

Y

-

I

V

P

S

V

V

I

T

C

A

A

L

I

A

A

R

R

T

S

R

K

K

Q

E

R

D

D

I

I

D

E

R

A

A

A

W

W

E

E

A

A

L

V

K

K

N

Y

T

A

P

K

N

R

P

P

R

K

I

I

H

L

I

I

F

F

L

T

A

S

T

T

S

S

P

D

I

I

H

H

M

M

E

K

Y

Y

K

K

L

L

K

K

M

K

T

T

P

K

E

E

V

V

I

I

K

E

Q

M

S

A

V

T

D

S

M

S

V

I

R

R

Y

F

A

A

R

K

E

S

R

L

-

G

F

F

S

I

E

D

V

V

E

Q

W

L

S

G

A

C

E

E

D

D

A

G

T

G

R

R

S

S

D

E

W

K

D

E

F

F

M

L

A

C

N

K

I

I

I

L

E

G

Q

E

V

A

I

I

D

K

V

A

G

G

A

A

T

T

V

A

I

V

N

N

L

V

P

A

D

D

T

T

V

V

G

G

Y

I

T

N

T

M

P

P

D

E

E

E

Y

Y

G

G

R

E

M

L

F

V

K

R

Y

Y

M

L

K

K

E

A

N

N

V

T

P

P

N

G

I

I

A

D

K

D

A

I

D

V

L

F

S

S

C

V

H
|
H

C

C

H
|
H

N

N

D

D

L

L

G

G

L

V

A

A

A

T

A

A

N

N

T

T

M

I

A

A

A

G

I

V

E

C

N

A

G

G

A

A

T

R

Q

Q

V

V

E

E

G

V

T

T

I

V

N

N

G

G

I

I

G

G

E

E

R

R

A

S

G

G

N

N

V

A

A

P

L

L

E

E

V

V

A

V

V

M

A

A

L

L

H

K

I

C

R

R

A

G

D

A

R

Y

Y

V

N

M

Y

D

E

G

T

V

G

Y

L

T

K

R

L

I

D

D

-

T

-

R

E

Q

I

I

K

M

R

A

T

T

S

S

D

K

L

M

I

V

A

Q

K

E

L

Y

S

T

G

G

M

L

Y

Y

V

V

Q

Q

A

P

N

H

K

K

A

P

I

I

I

V

G

G

R

A

N

N

A

C

Y

F

A

V

H

H

E

E

S

S

G

G

I

V

H
|
H

Q

Q

D

D

G

G

V

I

L

L

K

K

N

N

A

R

E

S

T

T

Y

Y

E

E

I

I

I

L

T

S

P

P

E

E

L

D

V

V

G

G

V

V

-

V

-

K

S

S

S

Q

N

N

T

S

-

G

L

I

F

V

M

L

G

G

K

K

H

L

S

S

G

G

K

R

H

H

A

A

F

V

K

K

D

D

K

R

V

L

K

K

E

E

F

L

G

G

V

Y

E

E

M

L

T

D

D

D

E

E

E

K

V

F

K

N

S

D

T

I

F

F

R

S

R

R

F

F

K

R

E

D

L

L

T

T

D

K

H

Q

K

K

R

K

E

R

V

I

T

T

D

D

D

A

D

D

I

L

Y

K

T

A

L

L

I

V

R93 (= R12) mutation to A: Lost catalytic activity.
D94 (= D13) mutation to A: Lost catalytic activity.
H292 (= H201) mutation to A: Lost catalytic activity.
H294 (= H203) mutation to A: Lost catalytic activity.
H392 (= H299) mutation to A: Lost catalytic activity.

Q9FN52 Methylthioalkylmalate synthase 3, chloroplastic; 2-isopropylmalate synthase 2; Methylthioalkylmalate synthase-like; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
47% identity, 73% coverage: 4:379/515 of query aligns to 85:475/503 of Q9FN52

query
sites
Q9FN52

I

V

R

R

I

V

F

L

D

D

T

T

L

L

R

R

D

D

G

G

E

E

Q

Q

S

S

P

P

G

G

V

A

N

A

L

L

N

T

K

P

M

P

E

Q

K

K

L

L

E

E

I

I

A

A

K

R

Q

Q

L

L

E

A

K

K

L

L

G

R

V

V

D

D

V

I

M

M

E

E

A

V

G

G

F

F

P

P

A

V

A

S

S

S

E

E

G

E

D

E

F

F

Q

E

A

A

V

I

R

K

L

T

I

I

A

A

D

K

T

T

V

V

T

G

D

N

-

E

-

V

-

D

-

E

-

T

-

G

-

Y

-

V

V

P

S

V

V

I

T

C

A

G

L

I

A

A

R

R

T

C

R

K

K

K

E

R

D

D

I

I

D

E

R

A

A

T

W

W

E

E

A

A

L

L

K

K

N

Y

T

A

P

K

N

R

P

P

R

R

I

V

H

M

I

L

F

F

L

T

A

S

T

T

S

S

P

E

I

I

H

H

M

M

E

K

Y

Y

K

K

L

L

K

K

M

K

T

T

P

K

E

E

V

V

I

I

K

E

Q

M

S

A

V

V

D

N

M

S

V

V

R

K

Y

Y

A

A

R

K

E

S

R

L

-

G

F

F

S

K

E

D

V

I

E

Q

W

F

S

G

A

C

E

E

D

D

A

G

T

G

R

R

S

T

D

E

W

K

D

D

F

F

M

I

A

C

N

K

I

I

I

L

E

G

Q

E

V

S

I

I

D

K

V

A

G

G

A

A

T

T

V

T

I

V

N

G

L

F

P

A

D

D

T

T

V

V

G
|
G

Y

I

T

N

T

M

P

P

D

Q

E

E

Y

F

G

G

R

E

M

L

F

V

K

A

Y

Y

M

V

K

I

E

E

N

N

V

T

P

P

N

G

I

A

A

D

K

D

A

I

D

V

L

F

S

A

C

I

H

H

C

C

H

H

N

N

D

D

L

L

G

G

L

V

A

A

A

T

A

A

N

N

T

T

M

I

A

S

A

G

I

I

E

C

N

A

G

G

A

A

T

R

Q

Q

V

V

E

E

G

V

T

T

I

I

N

N

G

G

I

I

G

G

E

E

R

R

A

S

G

G

N

N

V

A

A

P

L

L

E

E

V

V

A

V

V

M

A

A

L

L

H

K

I

C

R

R

A

G

D

E

R

S

Y

L

N

M

Y

D

E

G

T

V

G

Y

L

T

K

K

L

I

D

D

-

S

-

R

E

Q

I

I

K

M

R

A

T

T

S

S

D

K

L

M

I

V

A

Q

K

E

L

H

S

T

G

G

M

M

Y

Y

V

V

Q

Q

A

P

N

H

K

K

A

P

I

I

I

V

G

G

R

D

N

N

A

C

Y

F

A

V

H

H

E

E

S

S

G

G

I

I

H

H

Q

Q

D

D

G

G

V

I

L

L

K

K

N

N

A

R

E

S

T

T

Y

Y

E

E

I

I

I

L

T

S

P

P

E

E

L

D

V

V

G

G

V

I

-

V

-

K

S

S

S

E

N

N

T

S

-

G

L

I

F

V

M

L

G

G

K

K

H

L

S

S

G

G

K

R

H

H

A

A

F

V

K

K

D

D

K

R

V

L

K

K

E

E

F

L

G

G

V

Y

E

E

M

I

T

S

D

D

E

E

E

K

V

F

K

N

S

D

T

I

F

F

R

S

R

R

F

Y

K

R

E

E

L

L

T

T

D

K

H

D

K

K

R

K

E

R

V

I

T

T

D

D

D

A

D

D

I

L

Y

K

T

A

L

L

I

V

M

V

G263 (= G172) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
52% identity, 62% coverage: 3:319/515 of query aligns to 3:306/308 of 3rmjB

query
sites
3rmjB

R

R

I

V

R

I

I

I

F

F

D

D

T

T

L

L

R

R

D
|
D

G

G

E

E

Q
|
Q

S

S

P

P

G

G

V

A

N

A

L

M

N

T

K

K

M

E

E

E

K

K

L

I

E

R

I

V

A

A

K

R

Q

Q

L

L

E

E

K

K

L

L

G

G

V

V

D

D

V

I

M

I

E

E

A

A

G

G

F

F

P

A

A

A

S

S

E

P

G

G

D

D

F

F

Q

E

A

A

V

V

R

N

L

A

I

I

A

A

D

K

T

T

V

I

T

T

D

K

V

S

S

T

V

V

T

C

A

S

L

L

A

S

R

R

T

A

R

I

K

E

E

R

D

D

I

I

D

R

R

Q

A

A

W

G

E

E

A

A

L

V

K

A

N

P

T

A

P

P

N

K

P

K

R

R

I

I

H

H

I

T

F

F

L

I

A

A

T

T

S

S

P

P

I

I

H

H

M

M

E

E

Y

Y

K

K

L

L

K

K

M

M

T

K

P

P

E

K

E

Q

V

V

I

I

K

E

Q

A

S

A

V

V

D

K

M

A

V

V

R

K

Y

I

A

A

R

R

E

E

R

Y

F

T

S

D

E

D

V

V

E

E

W

F

S

S

A

C

E

E

D

D

A

A

T

L

R

R

S

S

D

E

W

I

D

D

F

F

M

L

A

A

N

E

I

I

I

C

E

G

Q

A

V

V

I

I

D

E

V

A

G

G

A

A

T

T

V

T

I

I

N

N

L

I

P

P

D

D

T

T

V

V

G

G

Y

Y

T

S

T

I

P

P

D

Y

E

K

Y

T

G

E

R

E

M

F

F

F

K

R

Y

E

M

L

K

I

E

A

N

K

V

T

P

P

N

N

I

G

A

G

K

K

A

V

D

V

L

W

S

S

C

A

H
|
H

C

C

H
|
H

N

N

D

D

L

L

G

G

L

L

A

A

A

V

A

A

N

N

T

S

M

L

A

A

I

L

E

K

N

G

G

G

A

A

T

R

Q

Q

V

V

E

E

G

C

T

T

I

V

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N
|
N

V

A

A

S

L

V

E

E

V

I

A

V

V

M

A

A

L

L

H

K

I

V

R

R

A

H

D

D

R

L

Y

F

N

G

Y

L

E

E

T

T

G

G

L

I

K

D

L

T

D

T

E

Q

I

I

K

V

R

P

T

S

S

S

D

K

L

L

I

V

A

S

K

T

L

I

S

T

G

G

M

Y

Y

P

V

V

Q

Q

A

P

N

N

K

K

A

A

I

I

I

V

G

G

R

A

N

N

A

A

Y

F

A

S

H

H

E

-

S

-

G

-

I

-

H

-

Q

-

D

-

G

-

V

-

L

-

K

-

N

-

A

-

E

E

T

T

Y

Y

E

E

I

I

I

M

T

S

P

A

E

E

L

S

V

V

G

G

active site: Q16 (= Q16)
binding manganese (ii) ion: D13 (= D13), H201 (= H201), H203 (= H203), N237 (= N237)

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
36% identity, 70% coverage: 3:360/515 of query aligns to 21:370/399 of 6ktqA

query
sites
6ktqA

R

K

I

V

R

G

I

I

F

L

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

S

T

P

P

G

G

V

V

N

V

L

F

N

T

K

T

M

D

E

Q

K

R

L

V

E

E

I

I

A

A

K

K

Q

A

L

L

E

S

K

D

L

I

G

G

V

V

D

Q

V

M

M

I

E

E

A

A

G

G

F

H

P

P

A

A

A
x
V

S

S

E

P

G

D

D

I

F

Y

Q

E

A

G

V

I

R

R

L

R

I

I

A

I

-

K

-

L

-

K

-

R

D

E

T

G

V

V

T

I

D

K

V

S

S

E

V

I

T

V

A

A

L

H

A

S

R
|
R

T
x
A

R

V

K

K

E

R

D

D

I

I

D

E

R

V

A

G

W

A

E

E

A

I

L

E

K

A

N

D

T

-

P

-

N

-

P

-

R

R

I

I

H

A

I

I

F
|
F

L

Y

A

G

T

I

S

S

P

D

I

T

H

H

M

L

E

K

Y

A

K

K

L
x
H

K

H

M

T

T

T

P

R

E

D

E

E

V

A

I

L

K

R

Q

S

S

I

V

A

D

E

M

T

V

V

R

S

Y

Y

A

A

R

K

E

S

R

H

F

G

S

V

E

K

V

V

E
x
R

W

F

S
x
T

A

A

E
|
E

D

D

A

A

T

T

R

R

S

A

D

D

W

Y

D

Q

F

Y

M

L

A

L

N

E

I

V

I

I

E

K

Q

T

V

V

I

R

D

D

V

A

G

G

A

A

T

D

V

R

I

V

N
x
S

L

I

P

A

D

D

T
|
T

V

V

G

G

Y

V

T

L

T

Y

P

P

D

S

E

R

Y

T

G

R

R

E

M

L

F

F

K

K

Y

D

M

L

K

T

E

S

N

R

V

F

P

P

N

D

I

I

A

-

K

-

A

-

D

E

L

F

S

D

C

I

H
|
H

C

A

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

A

V

A

A

N

N

T

V

M

L

A

A

I

A

E

E

N

G

G

G

A

A

T

T

Q

I

V

I

E

H

G

T

T

T

I

L

N

N

G

G

I

L

G

G

E

E

R

R

A

V

G

G

N

I

V

A

A

P

L

L

E

Q

E

V

V

V

A

A

V

A

A

A

L

L

H

-

I

-

R

-

A

-

D

-

R

-

Y

-

N

K

Y

Y

E

H

T

F

G

G

L

I

K

E

L

V

D

V

E

D

I

L

K

K

R

K

T

L

S

S

D

E

-

V

-

A

-

S

L

L

I

V

A

E

K

K

L

Y

S

S

G

G

M

I

Y

A

V

L

Q

P

A

P

N

N

K

F

A

P

I

I

I

T

G

G

R

D

N

Y

A

A

Y

F

A

V

H

H

E

K

S

A

G

G

I

V

H

H

Q

V

D

A

G

G

V

V

L

L

K

N

N

D

A

P

E

K

T

T

Y

Y

E

E

I

F

I

L

T

P

P

P

E

E

L

T

V

F

G

G

V

R

S

S

S

R

N

D

T

Y

L

V

F

-

M

I

G

D

K

K

H

Y

S

T

G

G

K

K

H

H

A

A

F

V

K

K

D

D

K

R

V

F

K

D

E

R

F

L

G

G

V

V

E

K

M

L

T

T

D

D

E

S

E

E

V

I

K

D

S

Q

T

V

F

L

R

A

R

K

F

I

K

K

binding 2-oxoglutaric acid: R30 (= R12), R154 (≠ E136), T156 (≠ S138), E158 (= E140), S184 (≠ N166), T188 (= T170), H216 (= H201), H218 (= H203)
binding coenzyme a: V67 (≠ A49), R96 (= R74), A97 (≠ T75), F116 (= F98), H128 (≠ L110), E158 (= E140)
binding zinc ion: E31 (≠ D13), H216 (= H201), H218 (= H203)

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
32% identity, 73% coverage: 4:377/515 of query aligns to 4:377/379 of 4ov4A

query
sites
4ov4A

I

I

R

H

I

I

F

Q

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

N

Q
|
Q

S

A

P

L

G

K

V

R

N

P

L

W

N

T

K

I

M

D

E

E

K

K

L

I

E

E

I

V

A

F

K

D

Q

L

L

L

E

V

K

E

L

L

G

N

V

V

D

D

V

G

M

I

E

E

A

V

G

G

F

F

P

P

A

S

S

N

E

E

G

T

D

E

F

F

Q

H

A

T

V

C

R

Q

L

V

I

L

A

S

D

K

T

R

V

A

T

P

D

K

-

G

V

K

S

P

V

I

T

A

A

A

L

L

A

S

R

R

T

A

R

N

K

Q

E

N

D

E

I

I

D

A

R

V

A

T

W

W

E

E

A

A

L

I

K

Q

N

K

T

A

P

D

N

C

P

P

R

R

I

M

H

H

I

I

F

V

L

Y

A

P

T

V

S

S

P

D

I

F

H

S

M

I

E

K

Y

H

K

V

L

L

K

K

M

I

T

S

P

E

E

K

E

E

V

V

I

L

K

Q

Q

K

S

I

V

R

D

N

M

S

V

I

R

S

Y

F

A

A

R

R

E

S

R

I

F

V

S

G

-

P

-

G

-

I

E

E

V

I

E

Q

W

F

S

S

A

G

E

E

-

H

-

F

-

G

D

D

A

A

T

I

R

E

S

-

D

N

W

F

D

A

F

F

M

T

A

K

N

E

I

A

I

F

E

L

Q

T

V

A

I

I

D

E

V

A

G

G

A

A

T

N

V

I

I

I

N

N

L

L

P
|
P

D

N

T
|
T

V

V

G

E

Y

R

T

Y

T

R

P

P

D

M

E

V

Y

F

G

V

R

N

M

M

F

V

K

K

Y

E

M

I

K

K

E

D

N

V

V

V

P

K

N

D

I

-

A

-

K

K

A

A

D

I

L

I

S

S

C

I

H
|
H

C

T

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

A

T

A

A

N

T

T

S

M

V

A

E

A

S

I

V

E

Y

N

V

G

G

A

A

T

E

Q

Q

V

I

E

E

G

V

T

A

I

L

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N

N

V

T

A

N

L

L

E

Y

E

E

V

T

A

A

V

I

A

A

L

L

H

H

I

Q

R

N

A

G

D

E

R

N

Y

L

N

N

Y

-

E

-

T

-

G

-

L

I

K

N

L

F

D

Q

E

R

I

I

K

Y

R

P

T

T

S

A

D

K

L

R

I

I

A

S

K

E

L

L

S

T

G

G

M

I

Y

P

V

I

Q

G

A

E

N

K

K

T

A

P

I

I

G

G

R

E

N

D

A

I

Y

F

A

S

H

H

E

R

S

S

G

G

I

I

H

H

Q

Q

D

H

G

-

V

-

L

-

K

Q

N

S

A

K

E

G

T

A

Y

Y

E

R

I

T

I

F

T

S

P

P

E

E

L

F

V

V

G

G

-

R

V

M

S

D

S

K

N

E

T

T

L

I

F

S

M

F

G

T

K

N

H

Q

S

S

G

G

K

H

H

K

A

A

F

I

K

E

D

F

K

L

V

L

K

H

E

Q

F

R

G

G

V

I

E

Q

M

V

T

S

D

K

E

E

E

G

V

I

K

H

S

H

T

L

F

F

R

S

R

L

F

A

K

K

E

S

L

I

T

S

-

S

-

R

D

E

H

N

K

N

R

R

E

E

V

I

T

T

D

E

D

A

D

E

I

L

Y

V

T

A

L

L

active site: Q16 (= Q16)
binding 3-methyl-2-oxobutanoic acid: R12 (= R12), P174 (= P168), T176 (= T170), H205 (= H201), H207 (= H203)
binding zinc ion: D13 (= D13), H205 (= H201), H207 (= H203)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
32% identity, 73% coverage: 4:377/515 of query aligns to 4:379/380 of 4ov9A

query
sites
4ov9A

I

I

R

H

I

I

F

Q

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

N

Q
|
Q

S

A

P

L

G

K

V

R

N

P

L

W

N

T

K

I

M

D

E

E

K

K

L

I

E

E

I

V

A

F

K

D

Q

L

L

L

E

V

K

E

L

L

G

N

V

V

D

D

V

G

M

I

E

E

A

V

G

G

F

F

P

P

A

S

S

N

E

E

G

T

D

E

F

F

Q

H

A

T

V

C

R

Q

L

V

I

L

A

S

D

K

T

R

V

A

T

P

D

K

-

G

V

K

S

P

V

I

T

A

A

A

L
|
L

A

S

R

R

T

A

R

N

K

Q

E

N

D

E

I

I

D

A

R

V

A

T

W

W

E

E

A

A

L

I

K

Q

N

K

T

A

P

D

N

C

P

P

R

R

I

M

H

H

I

I

F

V

L

Y

A

P

T

V

S

S

P

D

I

F

H

S

M

I

E

K

Y

H

K

V

L

L

K

K

M

I

T

S

P

E

E

K

E

E

V

V

I

L

K

Q

Q

K

S

I

V

R

D

N

M

S

V

I

R

S

Y

F

A

A

R

R

E

S

R

I

F

V

S

G

-

P

-

G

-

I

E

E

V

I

E

Q

W

F

S

S

A

G

E

E

-

H

-

F

-

G

D

D

A

A

T

I

R

E

S

-

D

N

W

F

D

A

F

F

M

T

A

K

N

E

I

A

I

F

E

L

Q

T

V

A

I

I

D

E

V

A

G

G

A

A

T

N

V

I

I

I

N

N

L

L

P

P

D

N

T
|
T

V

V

G

E

Y

R

T

Y

T

R

P

P

D

M

E

V

Y

F

G

V

R

N

M

M

F

V

K

K

Y

E

M

I

K

K

E

D

N

V

V

V

P

K

N

D

I

-

A

-

K

K

A

A

D

I

L

I

S

S

C

I

H
|
H

C

T

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

A

T

A

A

N

T

T

S

M

V

A

E

A

S

I

V

E

Y

N

V

G

G

A

A

T

E

Q

Q

V

I

E

E

G

V

T

A

I

L

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N

N

V

T

A

N

L

L

E

Y

E

E

V

T

A

A

V

I

A

A

L

L

H

H

I

Q

R

N

A

G

D

E

R

N

Y

L

N

N

Y

-

E

-

T

-

G

-

L

I

K

N

L

F

D

Q

E

R

I

I

K

Y

R

P

T

T

S

A

D

K

L

R

I

I

A

S

K

E

L

L

S

T

G

G

M

I

Y

P

V

I

Q

G

A

E

N

K

K

T

A

P

I

I

G

G

R

E

N

D

A

I

Y

F

A

S

H

H

E

R

S

S

G

G

I

I

H

H

Q

Q

D

T

G

-

V

L

L

H

K

Q

N

S

A

K

E

G

T

A

Y

Y

E

R

I

T

I

F

T

S

P

P

E

E

L

F

V

V

G

G

-

R

V

M

S

D

S

K

N

E

T

T

L

I

F

S

M

F

G

T

K

N

H

Q

S

S

G

G

K

H

H

K

A

A

F

I

K

E

D

F

K

L

V

L

K

H

E

Q

F

R

G

G

V

I

E

Q

M

V

T

S

D

K

E

E

E

G

V

I

K

H

S

H

T

L

F

F

R

S

R

L

F

A

K

K

E

S

L

I

T

S

-

S

-

R

D

E

H

N

K

N

R

R

E

E

V

I

T

T

D

E

D

A

D

E

I

L

Y

V

T

A

L

L

active site: Q16 (= Q16)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R12), L73 (= L72), T176 (= T170), H205 (= H201), H207 (= H203)
binding zinc ion: D13 (= D13), H205 (= H201), H207 (= H203)

Q8F3Q1 (R)-citramalate synthase CimA; LiCMS; EC 2.3.3.21 from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Lai (strain 56601) (see 2 papers)
28% identity, 90% coverage: 2:467/515 of query aligns to 6:472/516 of Q8F3Q1

query
sites
Q8F3Q1

S

T

R

R

I

L

R

E

I

I

F

L

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

E

Q

Q

S

T

P

R

G

G

V

V

N

S

L

F

N

S

K

T

M

S

E

E

K

K

L

L

E

N

I

I

A

A

K

K

-

F

Q

L

L

L

E

Q

K

K

L

L

G

N

V

V

D

D

V

R

M

V

E

E

A

I

G

A

F

S

P

A

A

R

A

V

S

S

E

K

G

G

D

E

F

L

Q

E

A

T

V

V

R

Q

L

K

I

I

A

M

D

E

T

W

V

A

T

A

D

T

V

E

S

Q

V

L

T

T

A

E

L

-

A

-

R

-

T

-

R

R

K

I

E

E

-

I

-
x
L

-

G

-
x
F

-

V

D

D

I

G

D

N

R

K

A

T

W

V

E

D

A

W

L

I

K

K

N

D

T

S

P

G

N

A

P

K

R

V

I

L

H

N

I

L

F
x
L

L

T

A

K

T

G

S

S

P

L

I

H

H

H

M

L

E

E

Y

K

K

Q

L

L

K

G

M

K

T

T

P

P

E

K

E

E

V

F

I

F

K

T

Q

D

S

V

V

S

D

F

M

V

V

I

R

E

Y

Y

A

A

R

I

E

K

R

S

F

G

S

L

E

K

V

I

E

N

W

V

S
x
Y

A

L

E
|
E

D

D

A

W

T

S

-

N

-

G

-

F

R

R

S

N

D

S

W

P

D

D

F

Y

M

V

A

K

N

S

I

L

I

V

E

E

Q

H

V

L

I

S

D

K

V

E

G

H

A

I

T

E

V

R

I

I

N

F

L

L

P

P

D

D

T
|
T

V

L

G

G

Y

V

T

L

T

S

P

P

D

E

E

E

Y

T

G

F

R

Q

M

G

F

V

K

D

Y

S

M

L

K

I

E

Q

N

K

V

Y

P

P

N

D

I

I

A

-

K

-

A

-

D

H

L

F

S

E

C

F

H

H

C

G

H

H

N

N

D

D

L

Y

G

D

L

L

A

S

A

V

A

A

N

N

T

S

M

L

A

Q

A

A

I

I

E

R

N

A

G

G

A

V

T

K

Q

G

V

L

E

H

G

A

T

S

I

I

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N

N

V

T

A

P

L

L

E

E

E

A

V

L

A

V

V

T

A

T

L

I

H

H

I

-

R

-

A

-

D

D

R

K

Y

S

N

N

Y

S

E

K

T

T

G

N

L

I

K

N

L

E

D

I

E

A

I

I

K

T

R

E

T

A

S

S

D

R

L

L

I

V

A

E

K

V

L

F

S

S

G

G

M

K

Y

R

V

I

Q

S

A

A

N

N

K

R

A

P

I

I

I

V

G

G

R

E

N

D

A

V

Y

F

A

T

H

Q

E

T

S

A

G

G

I

V

H
|
H

Q

A

D
|
D

G

G

V

D

L

K

K

K

N

G

A
x
N

E
x
L

T
x
Y

Y

A

E

N

I

P

I

I

T

L

P

P

E

E

L

R

V

F

G

G

V

-

S

R

S

K

N

R

T

S

L

Y

F

A

M

L

G

G

K

K

H

L

S

A

G

G

K

K

H

A

A

S

F

I

K

S

D

E

K

N

V

V

K

K

E

Q

F

L

G

G

V

M

E

V

M

L

T

S

D

E

E

V

V

L

K

Q

S

K

T

V

F

L

R

E

R

R

F

V

K

I

E

E

L

L

T

G

D

D

H

Q

K

N

R

K

E

L

V

V

T

T

D

P

D

E

D

D

I

L

Y

P

T

F

L

I

I

I

M

A

E

D

T

V

K

-

T

S

A

G

H

R

S

T

A

G

V

E

N

K

K

V

Y

L

S

T

L

I

E

K

N

S

F

C

Q

N

V

I

N

H

Y

S

G

G

T

I

A

G

N

I

I

R

T

P

T

H

A

A

T

Q

V

I

S

E

L

L

S

E

T

Y

P

-

A

Q

G

G

R

K

T

I

V

H

Q

K

T

E

A

I

A

S

T

E

G

G

N

D

G

G

S

G

-
x
Y

-
x
D

-

A

-

F

V

M

E

N

A

A

L

L

Y

T

K

K

T

I

I

T

Q

N

E

R

L

L

I

G

D

I

A

S

E

I

L

P

K

K

L
|
L

L

I

D

D

Y
|
Y

Q

E

L

V

N

R

S
x
I

V

P

G

P

G

G

K

K

-
x
T

D

D

A

A

L

L

A
x
V

E

E

S

T

H

R

V

I

R16 (= R12) mutation R->K,Q: Loss of activity.
RD 16:17 (= RD 12:13) binding pyruvate
D17 (= D13) mutation to A: 34-fold increase in Km for pyruvate and 315-fold decrease in kcat.; mutation to N: 4.4-fold increase in Km for pyruvate and 480-fold decrease in kcat.
L81 (vs. gap) mutation to A: 4.7-fold increase in Km for pyruvate and 15.7-fold decrease in kcat.; mutation to V: 3.3-fold increase in Km for pyruvate and 10.1-fold decrease in kcat.
F83 (vs. gap) mutation to A: 5-fold increase in Km for acetyl-CoA and 120-fold decrease in kcat.
L104 (≠ F98) mutation to V: 1.8-fold increase in Km for pyruvate and 3.4-fold decrease in kcat.
Y144 (≠ S138) binding pyruvate; mutation to L: 259-fold increase in Km for pyruvate and 76-fold decrease in kcat.; mutation to V: 114-fold increase in Km for pyruvate and 5.3-fold decrease in kcat.
E146 (= E140) mutation E->D,Q: Minor effects on the binding of acetyl-CoA, but causes a strong decrease in kcat.
T179 (= T170) binding pyruvate; mutation to A: 16.4-fold increase in Km for pyruvate and 186-fold decrease in kcat.
H302 (= H299) mutation H->A,N: Loss of activity.
D304 (= D301) mutation to A: 5.2-fold increase in Km for acetyl-CoA and 16.6-fold decrease in kcat.
N310 (≠ A307) mutation to A: 2.2-fold increase in Km for acetyl-CoA and 1.7-fold decrease in kcat.
L311 (≠ E308) mutation to A: 8-fold increase in Km for acetyl-CoA and 6-fold decrease in kcat.
Y312 (≠ T309) mutation to A: Loss of activity.
Y430 (vs. gap) mutation to L: No change in Km for acetyl-CoA and 2.3-fold decrease in kcat. Severely impairs inhibition by isoleucine.
D431 (vs. gap) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 5-fold decrease in kcat.
L451 (= L447) mutation to V: 1.5-fold increase in Km for acetyl-CoA and 4.3 decrease in kcat.
Y454 (= Y450) mutation to A: 1.4 decrease in Km for acetyl-CoA and 17-fold decrease in kcat. Still inhibited by isoleucine and weakly inhibited by leucine.
I458 (≠ S454) mutation to A: 1.3-fold decrease in Km for acetyl-CoA and 14-fold decrease in kcat. Abolishes inhibition by isoleucine.
T464 (vs. gap) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 4.3-fold decrease in kcat.
V468 (≠ A463) mutation to A: No change in Km for acetyl-CoA and 2-fold decrease in kcat. Increases inhibition by isoleucine and leucine becomes an effective inhibitor.

Sites not aligning to the query:

493 P→A: 1.5-fold decrease in Km for acetyl-CoA and 2.6-fold decrease in kcat.
495 Q→A: 1.6-fold decrease in Km for acetyl-CoA and 2.8-fold decrease in kcat.

Q9Y823 Homocitrate synthase, mitochondrial; HCS; EC 2.3.3.14 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see 2 papers)
29% identity, 72% coverage: 1:372/515 of query aligns to 29:394/418 of Q9Y823

query
sites
Q9Y823

M

L

S

S

R

R

I

V

R

N

-

N

-

F

-

S

I

I

F

I

D

E

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

S

F

P

A

G

N

V

A

N

F

L

F

N

D

K

T

M

E

E

K

K

K

L

I

E

Q

I

I

A

A

K

K

Q

A

L

L

E

D

K

N

L

F

G

G

V

V

D

D

V

Y

M

I

E
|
E

A

L

G

T

F

S

P

P

A

V

A

A

S

S

E

E

G

Q

D

S

F

R

Q

Q

A

D

V

C

R

E

L

A

I

I

A

C

D

K

T

L

V

G

T

L

D

K

V

C

S

K

V

I

T

L

A

T

L
x
H

A

I

R

R

T

C

R

H

K

M

E

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

-

L

-

K

-

N

-

T

T

P

G

N

V

P

D

R

G

I

V

H
x
D

I

V

F

V

L

I

A

G

T

T

S

S

P

Q

I

Y

H

L

M

R

E

K

Y

Y

K

S

L

H

K

G

M

K

T

D

P

M

E

T

E

Y

V

I

I

I

K

D

Q

S

S

A

V

T

D

E

M

V

V

I

R

N

Y

F

A

V

R

K

E

S

R

K

F

G

S

I

E

E

V

V

E
x
R

W

F

S
|
S

A

S

E
|
E

D

D

A

S

T

F

R

R

S

S

D

D

W

L

D

V

F

D

M

L

A

L

N

S

I

L

I

Y

E

K

Q

A

V

V

I

D

D

K

V

I

G

G

A

V

T

N

V

R

I

V

N

G

L

I

P

A

D

D

T
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T

V

V

G

G

Y

C

T

A

T

T

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P

D

R

E

Q

Y

V

G

Y

R

D

M

L

F

I

K

R

Y

T

M

L

K

R

E

-

N

-

V

-

P

-

N

G

I

V

A

V

K

S

A

C

D

D

L

I

S
x
E

C

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

A

I

A

A

N

N

T

A

M

Y

A

C

A

A

I

L

E

E

N

A

G

G

A

A

T

T

Q

H

V

I

E

D

G

T

T

S

I

I

N

L

G

G

I

I

G

G

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E

R

R

A

N

G

G

N

I

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T

A

P

L

L

E

G

E

A

V

L

A

L

V

A

A

R

L

M

H

Y

I

V

R

-

A

T

D

D

R

R

Y

E

N

Y

Y

I

E

T

T

H

G

K

L

Y

K

K

L

L

D

N

E

Q

I

L

K
x
R

R

E

T

L

S

E

D

N

L

L

I

V

A

A

K

D

L

A

S

V

G

E

M

V

Y

Q

V

I

Q

P

A

F

N

N

K

N

A

Y

I

I

I

T

G

G

R

M

N

C

A

A

Y

F

A

T

H

H

E

K

S

A

G

G

I

I

H

H

Q

A

D

K

G

A

V

I

L

L

K

A

N

N

A

P

E

S

T

T

Y
|
Y

E

E

I

I

I

L

T

K

P

P

E

E

L

D

V

F

G

G

V

M

S

S

S

R

N

Y

T

V

L

H

F

V

M

G

G

S

K

R

H

L

S

T

G

G

K

W

H

N

A

A

F

I

K

K

D

S

K

R

V

A

K

E

E
x
Q

F

L

G

N

V

L

E

H

M

L

T

T

D

D

E

A

E

Q

V

A

K

K

S

E

T

L

F

T

R

V

R

R

F

I

K

K

E

K

L

L

T

A

D

D

H

V

K

R

R

T

E

L

V

A

T

M

D

D

R43 (= R12) binding 2-oxoglutarate; mutation R->A,K,Q: Abolishes the catalytic activity.
E44 (≠ D13) binding 2-oxoglutarate; binding L-lysine; binding Zn(2+)
Q47 (= Q16) mutation to A: Abolishes the catalytic activity.
E74 (= E43) mutation to A: Abolishes the catalytic activity.; mutation to Q: Results in a moderate decrease in the turnover number and a slight increase in the Km value for each substrate.
H103 (≠ L72) binding 2-oxoglutarate; mutation to A: Substantially impairs catalytic efficiency.
D123 (≠ H96) binding L-lysine; mutation to N: Does not affect the catalytic activity but impairs L-lysine inhibition.
R163 (≠ E136) binding 2-oxoglutarate; mutation R->A,Q: Abolishes the catalytic activity.; mutation to K: Severely diminishes affinity for 2-oxoglutarate and substantially impairs catalytic efficiency.
S165 (= S138) binding 2-oxoglutarate; mutation to A: Results in a moderate decrease in catalytic efficiency.
E167 (= E140) mutation E->A,Q: Abolishes the catalytic activity.
T197 (= T170) binding 2-oxoglutarate; binding L-lysine; mutation to A: Exhibits a 25-fold decrease in catalytic efficiency.; mutation to S: Results in a modest decrease in catalytic efficiency.; mutation to V: Abolishes the catalytic activity.
E222 (≠ S199) mutation to Q: Does not affect the catalytic activity but impairs L-lysine inhibition.
H224 (= H201) binding 2-oxoglutarate; binding Zn(2+)
H226 (= H203) binding 2-oxoglutarate; binding Zn(2+)
R288 (≠ K266) mutation to K: Does not affect the catalytic activity but impairs L-lysine inhibition.
Y332 (= Y310) mutation to A: Abolishes the catalytic activity.; mutation to F: Results in a decrease in catalytic efficiency.
Q364 (≠ E342) mutation to R: Does not affect the catalytic activity but impairs L-lysine inhibition.

3ivtB Homocitrate synthase lys4 bound to 2-og (see paper)
29% identity, 72% coverage: 1:372/515 of query aligns to 24:389/400 of 3ivtB

query
sites
3ivtB

M

L

S

S

R

R

I

V

R

N

-

N

-

F

-

S

I

I

F

I

D

E

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

S

F

P

A

G

N

V

A

N

F

L

F

N

D

K

T

M

E

E

K

K

K

L

I

E

Q

I

I

A

A

K

K

Q

A

L

L

E

D

K

N

L

F

G

G

V

V

D

D

V

Y

M

I

E

E

A

L

G

T

F

S

P

P

A

V

A

A

S

S

E

E

G

Q

D

S

F

R

Q

Q

A

D

V

C

R

E

L

A

I

I

A

C

D

K

T

L

V

G

T

L

D

K

V

C

S

K

V

I

T

L

A

T

L
x
H

A

I

R

R

T

C

R

H

K

M

E

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

-

L

-

K

-

N

-

T

T

P

G

N

V

P

D

R

G

I

V

H

D

I

V

F

V

L

I

A

G

T

T

S

S

P

Q

I

Y

H

L

M

R

E

K

Y

Y

K

S

L

H

K

G

M

K

T

D

P

M

E

T

E

Y

V

I

I

I

K

D

Q

S

S

A

V

T

D

E

M

V

V

I

R

N

Y

F

A

V

R

K

E

S

R

K

F

G

S

I

E

E

V

V

E
x
R

W

F

S
|
S

A

S

E

E

D

D

A

S

T

F

R

R

S

S

D

D

W

L

D

V

F

D

M

L

A

L

N

S

I

L

I

Y

E

K

Q

A

V

V

I

D

D

K

V

I

G

G

A

V

T

N

V

R

I

V

N

G

L

I

P

A

D

D

T
|
T

V

V

G

G

Y

C

T

A

T

T

P

P

D

R

E

Q

Y

V

G

Y

R

D

M

L

F

I

K

R

Y

T

M

L

K

R

E

-

N

-

V

-

P

-

N

G

I

V

A

V

K

S

A

C

D

D

L

I

S

E

C

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

A

I

A

A

N

N

T

A

M

Y

A

C

A

A

I

L

E

E

N

A

G

G

A

A

T

T

Q

H

V

I

E

D

G

T

T

S

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

V

T

A

P

L

L

E

G

E

A

V

L

A

L

V

A

A

R

L

M

H

Y

I

V

R

-

A

T

D

D

R

R

Y

E

N

Y

Y

I

E

T

T

H

G

K

L

Y

K

K

L

L

D

N

E

Q

I

L

K

R

R

E

T

L

S

E

D

N

L

L

I

V

A

A

K

D

L

A

S

V

G

E

M

V

Y

Q

V

I

Q

P

A

F

N

N

K

N

A

Y

I

I

I

T

G

G

R

M

N

C

A

A

Y

F

A

T

H

H

E

K

S

A

G

G

I

I

H

H

Q

A

D

K

G

A

V

I

L

L

K

A

N

N

A

P

E

S

T

T

Y

Y

E

E

I

I

I

L

T

K

P

P

E

E

L

D

V

F

G

G

V

M

S

S

S

R

N

Y

T

V

L

H

F

V

M

G

G

S

K

R

H

L

S

T

G

G

K

W

H

N

A

A

F

I

K

K

D

S

K

R

V

A

K

E

E

Q

F

L

G

N

V

L

E

H

M

L

T

T

D

D

E

A

E

Q

V

A

K

K

S

E

T

L

F

T

R

V

R

R

F

I

K

K

E

K

L

L

T

A

D

D

H

V

K

R

R

T

E

L

V

A

T

M

D

D

active site: Q42 (= Q16)
binding 2-oxoglutaric acid: R38 (= R12), H98 (≠ L72), R158 (≠ E136), S160 (= S138), T192 (= T170), H219 (= H201), H221 (= H203)
binding zinc ion: E39 (≠ D13), H219 (= H201), H221 (= H203)

3mi3A Homocitrate synthase lys4 bound to lysine (see paper)
29% identity, 72% coverage: 1:372/515 of query aligns to 6:360/370 of 3mi3A

query
sites
3mi3A

M

L

S

S

R

R

I

V

R

N

-

N

-

F

-

S

I

I

F

I

D

E

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

S

F

P

A

G

N

V

A

N

F

L

F

N

D

K

T

M

E

E

K

K

K

L

I

E

Q

I

I

A

A

K

K

Q

A

L

L

E

D

K

N

L

F

G

G

V

V

D

D

V

Y

M

I

E

E

A

L

G

T

F

S

P

P

A

V

A

A

S

S

E

E

G

Q

D

S

F

R

Q

Q

A

D

V

C

R

E

L

A

I

I

A

C

D

K

T

L

V

G

T

L

D

K

V

C

S

K

V

I

T

L

A

T

L

H

A

I

R

R

T

C

R

H

K

M

E

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

-

L

-

K

-

N

-

T

T

P

G

N

V

P

D

R

G

I

V

H
x
D

I

V

F

V

L

I

A

G

T

T

S

S

P

-

I

-

H

-

M

M

E

T

Y

Y

K

-

L

-

K

-

M

-

T

-

P

-

E

-

V

I

I

I

K

D

Q

S

S

A

V

T

D

E

M

V

V

I

R

N

Y

F

A

V

R

K

E

S

R

K

F

G

S

I

E

E

V

V

E

R

W

F

S

S

A

S

E

E

D

D

A

S

T

F

R

R

S

S

D

D

W

L

D

V

F

D

M

L

A

L

N

S

I

L

I

Y

E

K

Q

A

V

V

I

D

D

K

V

I

G

G

A

V

T

N

V

R

I

V

N

G

L

I

P

A

D

D

T
|
T

V

V

G

G

Y

C

T

A

T

T

P

P

D

R

E

Q

Y

V

G

Y

R

D

M

L

F

I

K

R

Y

T

M

L

K

R

E

-

N

-

V

-

P

-

N

G

I

V

A

V

K

S

A

C

D

D

L

I

S

E

C

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

A

I

A

A

N

N

T

A

M

Y

A

C

A

A

I

L

E

E

N

A

G

G

A

A

T

T

Q

H

V

I

E

D

G

T

T

S

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

V

T

A

P

L

L

E

G

E

A

V

L

A

L

V

A

A

R

L

M

H

Y

I

V

R

-

A

T

D

D

R

R

Y

E

N

Y

Y

I

E

T

T

H

G

K

L

Y

K

K

L

L

D

N

E

Q

I

L

K

R

R

E

T

L

S

E

D

N

L

L

I

V

A

A

K

D

L

A

S

V

G

E

M

V

Y

Q

V

I

Q

P

A

F

N

N

K

N

A

Y

I

I

I

T

G

G

R

M

N

C

A

A

Y

F

A

T

H

H

E

K

S

A

G

G

I

I

H

H

Q

A

D

K

G

A

V

I

L

L

K

A

N

N

A

P

E

S

T

T

Y

Y

E

E

I

I

I

L

T

K

P

P

E

E

L

D

V

F

G

G

V

M

S

S

S

R

N

Y

T

V

L

H

F

V

M

G

G

S

K

R

H

L

S

T

G

G

K

W

H

N

A

A

F

I

K

K

D

S

K

R

V

A

K

E

E

Q

F

L

G

N

V

L

E

H

M

L

T

T

D

D

E

A

E

Q

V

A

K

K

S

E

T

L

F

T

R

V

R

R

F

I

K

K

E

K

L

L

T

A

D

D

H

V

K

R

R

T

E

L

V

A

T

M

D

D

active site: Q24 (= Q16)
binding lysine: R20 (= R12), D100 (≠ H96), T163 (= T170), H190 (= H201), H192 (= H203)
binding zinc ion: E21 (≠ D13), H190 (= H201), H192 (= H203)

3ivsA Homocitrate synthase lys4 (see paper)
27% identity, 70% coverage: 1:359/515 of query aligns to 6:345/364 of 3ivsA

query
sites
3ivsA

M

L

S

S

R

R

I

V

R

N

-

N

-

F

-

S

I

I

F

I

D

E

T

S

T

T

L

L

R

R

D
x
E

G

G

E

E

Q
|
Q

S

F

P

A

G

N

V

A

N

F

L

F

N

D

K

T

M

E

E

K

K

K

L

I

E

Q

I

I

A

A

K

K

Q

A

L

L

E

D

K

N

L

F

G

G

V

V

D

D

V

Y

M

I

E

E

A

L

G

T

F

S

P

P

A

V

A

A

S

S

E

E

G

Q

D

S

F

R

Q

Q

A

D

V

C

R

E

L

A

I

I

A

C

D

K

T

L

V

G

T

L

D

K

V

C

S

K

V

I

T

L

A

T

L

H

A

I

R

R

T

C

R

H

K

M

E

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

-

L

-

K

-

N

-

T

T

P

G

N

V

P

D

R

G

I

V

H

D

I

V

F

V

L

I

A

G

T

T

S

T

P

Y

I

I

H

-

M

-

E

-

Y

-

K

-

L

-

K

-

M

-

T

-

P

-

E

-

V

-

I

I

K

D

Q

S

S

A

V

T

D

E

M

V

V

I

R

N

Y

F

A

V

R

K

E

S

R

K

F

G

S

I

E

E

V

V

E

R

W

F

S

S

A

S

E

E

D

D

A

S

T

F

R

R

S

S

D

D

W

L

D

V

F

D

M

L

A

L

N

S

I

L

I

Y

E

K

Q

A

V

V

I

D

D

K

V

I

G

G

A

V

T

N

V

R

I

V

N

G

L

I

P

A

D

D

T

T

V

V

G

G

Y

C

T

A

T

T

P

P

D

R

E

Q

Y

V

G

Y

R

D

M

L

F

I

K

R

Y

T

M

L

K

R

E

-

N

-

V

-

P

-

N

G

I

V

A

V

K

S

A

C

D

D

L

I

S

E

C

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

A

I

A

A

N

N

T

A

M

Y

A

C

A

A

I

L

E

E

N

A

G

G

A

A

T

T

Q

H

V

I

E

D

G

T

T

S

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

V

T

A

P

L

L

E

G

E

A

V

L

A

L

V

A

A

R

L

M

H

Y

I

V

R

-

A

T

D

D

R

R

Y

E

N

Y

Y

I

E

T

T

H

G

K

L

Y

K

K

L

L

D

N

E

Q

I

L

K

R

R

E

T

L

S

E

D

N

L

L

I

V

A

A

K

D

L

A

S

V

G

E

M

V

Y

Q

V

I

Q

P

A

F

N

N

K

N

A

Y

I

I

I

T

G

G

R

M

N

C

A

A

Y

F

A

T

H

H

E

K

S

A

G

G

I

I

H

H

Q

A

D

K

G

A

V

I

L

L

K

A

N

N

A

P

E

S

T

T

Y

Y

E

E

I

I

I

L

T

K

P

P

E

E

L

D

V

F

G

G

V

M

S

S

S

R

N

Y

T

V

L

H

F

V

M

G

G

S

K

R

H

L

S

T

G

G

K

W

H

N

A

A

F

I

K

K

D

S

K

R

V

A

K

E

E

Q

F

L

G

N

V

L

E

H

M

L

T

Q

D

A

E

K

E

E

V

L

K

T

S

V

T

R

F

I

R

K

F

L

active site: Q24 (= Q16)
binding cobalt (ii) ion: E21 (≠ D13), H188 (= H201), H190 (= H203)

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
30% identity, 75% coverage: 1:384/515 of query aligns to 1:376/376 of O87198

query
sites
O87198

M

M

S

R

R

E

I

W

R

K

I

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

S

F

P

E

G

K

V

A

N

N

L

F

N

S

K

T

M

Q

E

D

K

K

L

V

E

E

I

I

A

A

K

K

Q

A

L

L

E

D

K

E

L

F

G

G

V

I

D

E

V

Y

M

I

E

E

A

V

G

T

F

T

P

P

A

V

A

A

S

S

E

P

G

Q

D

S

F

R

Q

K

A

D

V

A

R

E

L

V

I

L

A

A

D

S

T

L

V

G

T

L

D

K

V

A

S

K

V

V

T

V

A

T

L
x
H

A

I

R

Q

T

C

R

R

K

-

E

-

D

-

I

L

D

D

R

A

A

A

W

K

E

V

A

A

L

V

K

E

N

-

T

T

P

G

N

V

P

Q

R

G

I

I

H
x
D

I

L

F

L

L

F

A

G

T

T

S

S

P

K

I

Y

H

L

M

R

E

A

Y

A

K

H

L

G

K

R

M

D

T

I

P

P

E

R

E

-

V

I

I

I

K

E

Q

E

S

A

V

K

D

E

M

V

V

I

R

A

Y

Y

A

I

R

R

E

E

-

A

R

P

F

H

S

V

E

E

V

V

E
x
R

W

F

S
|
S

A

A

E

E

D

D

A

T

T

F

R

R

S

S

D

E

W

E

D

Q

F

D

M

L

A

L

N

A

I

V

I

Y

E

E

Q

A

V

V

I

A

D

P

V

Y

G

-

A

V

T

D

V

R

I

V

N

G

L

L

P

A

D

D

T
|
T

V

V

G

G

Y

V

T

A

T

T

P

P

D

R

E

Q

Y

V

G

Y

R

A

M

L

F

V

K

R

Y

E

M

V

K

R

E

R

N

V

V

V

P

G

N

-

I

-

A

P

K

R

A

V

D

D

L

I

S

E

C

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

A

A

A

I

A

A

N

N

T

A

M

Y

A

E

A

A

I

I

E

E

N

A

G

G

A

A

T

T

Q

H

V

V

E

D

G

T

T

T

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

V

T

A

P

L

L

E

G

V

F

A

L

V

A

A

R

L

M

H

Y

I

T

R

L

A

Q

D

P

R

E

Y

Y

N

-

Y

V

E

R

T

R

G

K

L

Y

K

K

L

L

D

E

E

M

I

L

K

P

R

E

T

L

S

D

D

R

L

M

I

V

A

A

K

R

L

M

S

V

G

G

M

V

Y

E

V

I

Q

P

A

F

N

N

K

N

A

Y

I

I

I

T

G

G

R

E

N

T

A

A

Y

F

A

S

H

H

E

K

S

A

G

G

I

M

H

H

Q

L

D

K

G

A

V

I

L

Y

K

I

N

N

A

P

E

E

T

A

Y

Y

E

E

I

P

I

Y

T

P

P

P

E

E

L

V

V

F

G

G

V

V

S

K

S

R

N

K

T

L

L

I

F

I

M

A

G

S

K

R

H

L

S

T

G

G

K

R

H

H

A

A

F

I

K

K

D

A

K

R

V

A

K

E

E

E

F

L

G

G

V

L

E

H

M

Y

T

G

D

E

E

E

V

L

K

H

S

R

T

V

F

T

R

Q

R

H

F

I

K

K

E

A

L

L

T

A

D

D

H

-

K

R

R

G

E

Q

V

L

T

T

D

L

D

E

I

L

Y

D

T

R

L

I

I

L

M

R

E

E

T

W

K

I

T

T

A

A

R12 (= R12) binding 2-oxoglutarate
E13 (≠ D13) binding Mg(2+)
H72 (≠ L72) binding 2-oxoglutarate; mutation to L: Significant decrease in sensitivity to lysine inhibition. Large decrease in affinity for 2-oxoglutarate. Almost no effect on affinity for acetyl-CoA and on turnover number.
D92 (≠ H96) binding L-lysine
R133 (≠ E136) binding 2-oxoglutarate
S135 (= S138) binding L-lysine
T166 (= T170) binding 2-oxoglutarate; binding L-lysine
H195 (= H201) binding Mg(2+)
H197 (= H203) binding Mg(2+)

3hq1A Crystal structure of mycobacterium tuberculosis leua complexed with citrate and mn2+
27% identity, 95% coverage: 11:499/515 of query aligns to 62:571/573 of 3hq1A

query
sites
3hq1A

L

L

R

R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

V

D

N

P

L

M

N

S

K

P

M

A

E

R

K

K

L

R

E

R

I

M

A

F

K

D

Q

L

L

L

E

V

K

R

L

M

G

G

V

Y

D

K

V

E

M

I

E

E

A

V

G

G

F

F

P

P

A

S

A

A

S

S

E

Q

G

T

D

D

F

F

Q

D

A

F

V

V

R

R

L

E

I

I

A

I

D

E

-

Q

-

G

-

A

T

I

V

P

T

D

D

D

V

V

S

T

V

I

T

Q

A

V

L

L

A

T

R

Q

T

C

R

R

K

P

E

E

D

L

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

N

G

T

A

P

P

N

R

P

A

R

I

I

V

H

H

I

F

F

Y

L

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

E

R

Y

V

K

V

L

F

K

R

M

A

T

N

P

R

E

A

E

E

V

V

I

Q

K

A

Q

I

S

A

V

T

D

D

M

G

V

A

R

R

Y

K

A

C

R

V

E

E

R

Q

F

A

S

A

E

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

W

Y

S

S

A

P

E

E

D

S

A

Y

T

T

R

G

S

T

D

E

W

L

D

E

F

Y

M

A

A

K

N

Q

I

V

I

C

E

D

Q

A

V

V

I

G

D

E

V

V

G

I

A

A

T

P

-

T

-

P

-

E

-

R

-

P

-

I

V

I

I

F

N

N

L

L

P

P

D

A

T

T

V

V

G

E

Y

M

T

T

P

P

D

N

E

V

Y

Y

G

A

R

D

M

S

F

I

K

E

Y

W

M

M

K

S

E

R

N

N

V

L

P

A

N

N

I

R

A

E

K

S

A

V

D

I

L

L

S

S

C

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

A

V

A

A

N

A

T

A

M

E

A

L

A

G

I

F

E

A

N

A

G

G

A

A

T

D

Q

R

V

I

E

E

G

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N
|
N

V

V

A

C

L

L

E

V

E

T

V

L

A

G

V

L

A

N

L

L

H

F

I

S

R

R

A

G

D

V

R

D

Y

P

N

Q

Y

I

E

D

T

F

G

S

L

-

K

N

L

I

D

D

E

E

I

I

K

R

R

R

T

T

S

V

D

E

L

Y

I

C

A

N

K

Q

L

L

S

P

G

-

M

-

Y

-

V

V

Q

H

A

E

N

R

K

H

A

P

I

Y

I

G

G

G

R

D

N

L

A

V

Y

Y

A

T

H

A

E

F

S

S

G

G

I

S

H

H

Q

Q

D

D

G

A

V

I

L

N

K

K

N

G

A

L

E

D

T

A

Y

M

E

K

I

L

I

D

T

A

P

D

E

A

L

A

V

D

G

C

V

D

S

V

S

D

N

D

T

M

L

L

F

W

M

Q

-

V

-

P

-

Y

-

L

-

P

-

I

-

D

G

P

K

R

H

D

S

V

G

G

K

R

H

T

A

-

F

-

K

Y

D

E

K

A

V

V

K

I

E

K

F

G

G

G

V

V

E

A

-

Y

-

I

M

M

T

K

D

T

E

D

E

H

V

G

K

L

S

S

T

L

F

P

R

R

F

L

K

Q

-

I

E

E

L

F

T

S

D

Q

-

V

-

I

H

Q

K

K

R

I

E

E

V

V

T

S

D

P

D

K

D

E

I

M

Y

W

T

D

L

A

I

F

M

A

E

E

T

E

K

Y

T

L

A

A

H

P

S

V

A

R

V

-

N

-

K

-

Y

-

S

P

L

L

E

E

N

R

F

I

Q

R

V

Q

N

H

Y

V

-

D

-

A

-

D

-

G

G

G

T

T

A

T

N

S

I

I

T

-

T

T

A

A

T

T

V

V

S

K

L

I

S

N

T

-

P

-

A

-

G

G

R

V

T

E

V

T

Q

E

T

I

A

S

A

G

T

S

G

G

N

N

G

G

S

P

V

L

E

A

A

A

L

F

Y

V

K

H

T

A

I

L

Q

A

E

D

L

-

I

V

D

G

A

F

E

D

L

V

K

A

L

V

L

L

D

D

Y

Y

Q

Y

L

E

N

H

S

A

V

M

G

S

G

A

G

G

K

D

D

D

A

A

L

Q

A

A

E

A

S

A

H

Y

V

V

Q

E

L

A

L

S

V

V

N

T

G

I

E

S

R

K

T

T

-

V

N

W

G

G

R

V

G

G

T

I

A

A

Q

P

D

S

V

I

I

T

E

T

A

A

S

S

A

L

N

R

A

A

Y

V

I

V

N

S

A

A

V

V

N

N

R

R

binding manganese (ii) ion: D64 (= D13), H268 (= H201), H270 (= H203), N304 (= N237)

1sr9A Crystal structure of leua from mycobacterium tuberculosis (see paper)
27% identity, 95% coverage: 11:499/515 of query aligns to 62:571/573 of 1sr9A

query
sites
1sr9A

L

L

R
|
R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

V

D

N

P

L

M

N

S

K

P

M

A

E

R

K

K

L

R

E

R

I

M

A

F

K

D

Q

L

L

L

E

V

K

R

L

M

G

G

V

Y

D

K

V

E

M

I

E

E

A

V

G

G

F

F

P

P

A

S

A

A

S

S

E

Q

G

T

D

D

F

F

Q

D

A

F

V

V

R

R

L

E

I

I

A

I

D

E

-

Q

-

G

-

A

T

I

V

P

T

D

D

D

V

V

S

T

V

I

T

Q

A

V

L

L

A

T

R

Q

T

C

R

R

K

P

E

E

D

L

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

N

G

T

A

P

P

N

R

P

A

R

I

I

V

H

H

I

F

F

Y

L

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

E

R

Y

V

K

V

L

F

K

R

M

A

T

N

P

R

E

A

E

E

V

V

I

Q

K

A

Q

I

S

A

V

T

D

D

M

G

V

A

R

R

Y

K

A

C

R

V

E

E

R

Q

F

A

S

A

E

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

W

Y

S

S

A

P

E

E

D

S

A

Y

T

T

R

G

S

T

D

E

W

L

D

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F

Y

M

A

A

K

N

Q

I

V

I

C

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D

Q

A

V

V

I

G

D

E

V

V

G

I

A

A

T

P

-

T

-

P

-

E

-

R

-

P

-

I

V

I

I

F

N

N

L

L

P
|
P

D

A

T
|
T

V

V

G

E

Y

M

T

T

P

P

D

N

E

V

Y

Y

G

A

R

D

M

S

F

I

K

E

Y

W

M

M

K

S

E

R

N

N

V

L

P

A

N

N

I

R

A

E

K

S

A

V

D

I

L

L

S

S

C

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

A

V

A

A

N

A

T

A

M

E

A

L

A

G

I

F

E

A

N

A

G

G

A

A

T

D

Q

R

V

I

E

E

G

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N

N

V

V

A

C

L

L

E

V

E

T

V

L

A

G

V

L

A

N

L

L

H

F

I

S

R

R

A

G

D

V

R

D

Y

P

N

Q

Y

I

E

D

T

F

G

S

L

-

K

N

L

I

D

D

E

E

I

I

K

R

R

R

T

T

S

V

D

E

L

Y

I

C

A

N

K

Q

L

L

S

P

G

-

M

-

Y

-

V

V

Q

H

A

E

N

R

K

H

A

P

I

Y

I

G

G

G

R

D

N

L

A

V

Y

Y

A

T

H

A

E

F

S

S

G

G

I

S

H

H

Q

Q

D

D

G

A

V

I

L

N

K

K

N

G

A

L

E

D

T

A

Y

M

E

K

I

L

I

D

T

A

P

D

E

A

L

A

V

D

G

C

V

D

S

V

S

D

N

D

T

M

L

L

F

W

M

Q

-

V

-

P

-

Y

-

L

-

P

-

I

-

D

G

P

K

R

H

D

S

V

G

G

K

R

H

T

A

-

F

-

K

Y

D

E

K

A

V

V

K

I

E

K

F

G

G

G

V

V

E

A

-

Y

-

I

M

M

T

K

D

T

E

D

E

H

V

G

K

L

S

S

T

L

F

P

R

R

F

L

K

Q

-

I

E

E

L

F

T

S

D

Q

-

V

-

I

H

Q

K

K

R

I

E

E

V

V

T

S

D

P

D

K

D

E

I

M

Y

W

T

D

L

A

I

F

M

A

E

E

T

E

K

Y

T

L

A

A

H

P

S

V

A

R

V

-

N

-

K

-

Y

-

S

P

L

L

E

E

N

R

F

I

Q

R

V

Q

N

H

Y

V

-

D

-

A

-

D

-

G

G

G

T

T

A

T

N

S

I

I

T

-

T

T

A

A

T

T

V

V

S

K

L

I

S

N

T

-

P

-

A

-

G

G

R

V

T

E

V

T

Q

E

T

I

A

S

A

G

T

S

G

G

N

N

G

G

S

P

V

L

E

A

A

A

L

F

Y

V

K

H

T

A

I

L

Q

A

E

D

L

-

I

V

D

G

A

F

E

D

L

V

K

A

L

V

L

L

D

D

Y

Y

Q

Y

L

E

N

H

S

A

V

M

G

S

G

A

G

G

K

D

D

D

A

A

L

Q

A

A

E

A

S

A

H

Y

V

V

Q

E

L

A

L

S

V

V

N

T

G

I

E

S

R

K

T

T

-

V

N

W

G

G

R

V

G

G

T

I

A

A

Q

P

D

S

V

I

I

T

E

T

A

A

S

S

A

L

N

R

A

A

Y

V

I

V

N

S

A

A

V

V

N

N

R

R

binding 3-methyl-2-oxobutanoic acid: R63 (= R12), P235 (= P168), T237 (= T170), H268 (= H201), H270 (= H203)
binding zinc ion: D64 (= D13), H268 (= H201), H270 (= H203)

3figB Crystal structure of leucine-bound leua from mycobacterium tuberculosis (see paper)
26% identity, 95% coverage: 11:499/515 of query aligns to 62:574/577 of 3figB

query
sites
3figB

L

L

R

R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

V

D

N

P

L

M

N

S

K

P

M

A

E

R

K

K

L

R

E

R

I

M

A

F

K

D

Q

L

L

L

E

V

K

R

L

M

G

G

V

Y

D

K

V

E

M

I

E

E

A

V

G

G

F

F

P

P

A

S

A

A

S

S

E

Q

G

T

D

D

F

F

Q

D

A

F

V

V

R

R

L

E

I

I

A

I

D

E

-

Q

-

G

-

A

T

I

V

P

T

D

D

D

V

V

S

T

V

I

T

Q

A

V

L

L

A

T

R

Q

T

C

R

R

K

P

E

E

D

L

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

N

G

T

A

P

P

N

R

P

A

R

I

I

V

H

H

I

F

F

Y

L

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

E

R

Y

V

K

V

L

F

K

R

M

A

T

N

P

R

E

A

E

E

V

V

I

Q

K

A

Q

I

S

A

V

T

D

D

M

G

V

A

R

R

Y

K

A

C

R

V

E

E

R

Q

F

A

S

A

E

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

W

Y

S

S

A

P

E

E

D

S

A

Y

T

T

R

G

S

T

D

E

W

L

D

E

F

Y

M

A

A

K

N

Q

I

V

I

C

E

D

Q

A

V

V

I

G

D

E

V

V

G

I

A

A

T

P

-

T

-

P

-

E

-

R

-

P

-

I

V

I

I

F

N

N

L

L

P

P

D

A

T

T

V

V

G

E

Y

M

T

T

P

P

D

N

E

V

Y

Y

G

A

R

D

M

S

F

I

K

E

Y

W

M

M

K

S

E

R

N

N

V

L

P

A

N

N

I

R

A

E

K

S

A

V

D

I

L

L

S

S

C

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

A

V

A

A

N

A

T

A

M

E

A

L

A

G

I

F

E

A

N

A

G

G

A

A

T

D

Q

R

V

I

E

E

G

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N

N

V

V

A

C

L

L

E

V

E

T

V

L

A

G

V

L

A

N

L

L

H

F

I

S

R

R

A

G

D

V

R

D

Y

P

N

Q

Y

I

E

D

T

F

G

S

L

-

K

N

L

I

D

D

E

E

I

I

K

R

R

R

T

T

S

V

D

E

L

Y

I

C

A

N

K

Q

L

L

S

P

G

-

M

-

Y

-

V

V

Q

H

A

E

N

R

K

H

A

P

I

Y

I

G

G

G

R

D

N

L

A

V

Y

Y

A

T

H

A

E

F

S

S

G

G

I

S

H

H

Q

Q

D

D

G

A

V

I

L

N

K

K

N

G

A

L

E

D

T

A

Y

M

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K

I

L

I

D

T

A

P

D

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A

L

A

V

D

G

C

V

D

S

V

S

D

N

D

T

M

L

L

F

W

M

Q

-

V

-

P

-

Y

-

L

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P

-

I

-

D

G

P

K

R

H

D

S

V

G

G

K

R

-

T

H

Y

A

E

F

A

K

V

D

I

K

R

V

V

K

N

E

K

F

G

G

G

V

V

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A

-

Y

-

I

M

M

T

K

D

T

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D

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H

V

G

K

L

S

S

T

L

F

P

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L

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I

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F

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D

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H

V

K

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D

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D

K

D

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I

M

Y

W

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L

A

I

F

M

A

E

E

T

E

K

Y

T

L

A

A

H

P

S

V

A

R

V

-

N

-

K

-

Y

-

S

P

L

L

E

E

N

R

F

I

Q

R

V

Q

N

H

Y

V

-

D

-

A

-

D

-

G

G

G

T

T

A

T

N

S

I

I

T

-

T

T

A

A

T

T

V

V

S

K

L

I

S

N

T

-

P

-

A

-

G

G

R

V

T

E

V

T

Q

E

T

I

A

S

A

G

T

S

G

G

N

N

G
|
G

S
x
P

V
x
L

E
x
A

A

A

L

F

Y

V

K

H

T

A

I

L

Q

A

E

D

L

-

I

V

D

G

A

F

E

D

L

V

K

A

L

V

L

L

D

D

Y

Y

Q

Y

L

E

N

H

S

A

V

M

G

S

G

A

G

G

K
x
D

D

D

A
|
A

L

Q

A

A

E

A

S

A

H

Y

V

V

Q

E

-

A

-

S

-

V

L

T

L

I

V

A

N

T

G

S

E

K

R

T

T

V

N

W

G

G

R

V

G

G

T

I

A

A

Q
x
P

D

S

V
x
I

I

T

E

T

A

A

S

S

A

L

N

R

A

A

Y

V

I

V

N

S

A

A

V

V

N

N

R

R

binding leucine: G501 (= G428), P502 (≠ S429), L503 (≠ V430), A504 (≠ E431), D531 (≠ K459), A533 (= A461), P558 (≠ Q483), I560 (≠ V485)
binding zinc ion: D64 (= D13), H268 (= H201), H270 (= H203)

3hpzB Crystal structure of mycobacterium tuberculosis leua complexed with bromopyruvate
26% identity, 95% coverage: 11:499/515 of query aligns to 62:574/576 of 3hpzB

query
sites
3hpzB

L

L

R

R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

V

D

N

P

L

M

N

S

K

P

M

A

E

R

K

K

L

R

E

R

I

M

A

F

K

D

Q

L

L

L

E

V

K

R

L

M

G

G

V

Y

D

K

V

E

M

I

E

E

A

V

G

G

F

F

P

P

A

S

A

A

S

S

E

Q

G

T

D

D

F

F

Q

D

A

F

V

V

R

R

L

E

I

I

A

I

D

E

-

Q

-

G

-

A

T

I

V

P

T

D

D

D

V

V

S

T

V

I

T

Q

A

V

L

L

A

T

R

Q

T

C

R

R

K

P

E

E

D

L

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

N

G

T

A

P

P

N

R

P

A

R

I

I

V

H

H

I

F

F

Y

L

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

E

R

Y

V

K

V

L

F

K

R

M

A

T

N

P

R

E

A

E

E

V

V

I

Q

K

A

Q

I

S

A

V

T

D

D

M

G

V

A

R

R

Y

K

A

C

R

V

E

E

R

Q

F

A

S

A

E

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

W

Y

S

S

A

P

E
|
E

D

S

A

Y

T

T

R

G

S

T

D

E

W

L

D

E

F

Y

M

A

A

K

N

Q

I

V

I

C

E

D

Q

A

V

V

I

G

D

E

V

V

G

I

A

A

T

P

-

T

-

P

-

E

-

R

-

P

-

I

V

I

I

F

N

N

L

L

P
|
P

D

A

T
|
T

V

V

G

E

Y

M

T

T

P

P

D

N

E

V

Y

Y

G

A

R

D

M

S

F

I

K

E

Y

W

M

M

K

S

E

R

N

N

V

L

P

A

N

N

I

R

A

E

K

S

A

V

D

I

L

L

S

S

C

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

A

V

A

A

N

A

T

A

M

E

A

L

A

G

I

F

E

A

N

A

G

G

A

A

T

D

Q

R

V

I

E

E

G

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N

N

V

V

A

C

L

L

E

V

E

T

V

L

A

G

V

L

A

N

L

L

H

F

I

S

R

R

A

G

D

V

R

D

Y

P

N

Q

Y

I

E

D

T

F

G

S

L

-

K

N

L

I

D

D

E

E

I

I

K

R

R

R

T

T

S

V

D

E

L

Y

I

C

A

N

K

Q

L

L

S

P

G

-

M

-

Y

-

V

V

Q

H

A

E

N

R

K

H

A

P

I

Y

I

G

G

G

R

D

N

L

A

V

Y

Y

A

T

H

A

E

F

S

S

G

G

I

S

H

H

Q

Q

D

D

G

A

V

I

L

N

K

K

N

G

A

L

E

D

T

A

Y

M

E

K

I

L

I

D

T

A

P

D

E

A

L

A

V

D

G

C

V

D

S

V

S

D

N

D

T

M

L

L

F

W

M

Q

-

V

-

P

-

Y

-

L

-

P

-

I

-

D

G

P

K

R

H

D

S

V

G

G

K

R

-

T

H

Y

A

E

F

A

K

V

D

I

K

R

V

V

K

N

E

K

F

G

G

G

V

V

E

A

-

Y

-

I

M

M

T

K

D

T

E

D

E

H

V

G

K

L

S

S

T

L

F

P

R

R

F

L

K

Q

-

I

E

E

L

F

T

S

D

Q

H

V

K

I

R

Q

E

K

V

V

T

S

D

P

D

K

D

E

I

M

Y

W

T

D

L

A

I

F

M

A

E

E

T

E

K

Y

T

L

A

A

H

P

S

V

A

R

V

-

N

-

K

-

Y

-

S

P

L

L

E

E

N

R

F

I

Q

R

V

Q

N

H

Y

V

-

D

-

A

-

D

-

G

G

G

T

T

A

T

N

S

I

I

T

-

T

T

A

A

T

T

V

V

S

K

L

I

S

N

T

-

P

-

A

-

G

G

R

V

T

E

V

T

Q

E

T

I

A

S

A

G

T

S

G

G

N

N

G

G

S

P

V

L

E

A

A

A

L

F

Y

V

K

H

T

A

I

L

Q

A

E

D

L

-

I

V

D

G

A

F

E

D

L

V

K

A

L

V

L

L

D

D

Y

Y

Q

Y

L

E

N

H

S

A

V

M

G

S

G

A

G

G

K

D

D

D

A

A

L

Q

A

A

E

A

S

A

H

Y

V

V

Q

E

-

A

-

S

-

V

L

T

L

I

V

A

N

T

G

S

E

K

R

T

T

V

N

W

G

G

R

V

G

G

T

I

A

A

Q

P

D

S

V

I

I

T

E

T

A

A

S

S

A

L

N

R

A

A

Y

V

I

V

N

S

A

A

V

V

N

N

R

R

binding Bromopyruvate: E201 (= E140), P235 (= P168), T237 (= T170), H268 (= H201), H270 (= H203)
binding zinc ion: D64 (= D13), H268 (= H201), H270 (= H203)

3hpsA Crystal structure of mycobacterium tuberculosis leua complexed with ketoisocaproate (kic)
27% identity, 95% coverage: 11:499/515 of query aligns to 62:573/575 of 3hpsA

query
sites
3hpsA

L

L

R
|
R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

V

D

N

P

L

M

N

S

K

P

M

A

E

R

K

K

L

R

E

R

I

M

A

F

K

D

Q

L

L

L

E

V

K

R

L

M

G

G

V

Y

D

K

V

E

M

I

E

E

A

V

G

G

F

F

P

P

A

S

A

A

S

S

E

Q

G

T

D

D

F

F

Q

D

A

F

V

V

R

R

L

E

I

I

A

I

D

E

-

Q

-

G

-

A

T

I

V

P

T

D

D

D

V

V

S

T

V

I

T

Q

A

V

L

L

A

T

R

Q

T

C

R

R

K

P

E

E

D

L

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

N

G

T

A

P

P

N

R

P

A

R

I

I

V

H
|
H

I

F

F
x
Y

L

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

E

R

Y

V

K

V

L

F

K

R

M

A

T

N

P

R

E

A

E

E

V

V

I

Q

K

A

Q

I

S

A

V

T

D

D

M

G

V

A

R

R

Y

K

A

C

R

V

E

E

R

Q

F

A

S

A

E

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

W

Y

S

S

A

P

E

E

D

S

A

Y

T

T

R

G

S

T

D

E

W

L

D

E

F

Y

M

A

A

K

N

Q

I

V

I

C

E

D

Q

A

V

V

I

G

D

E

V

V

G

I

A

A

T

P

-

T

-

P

-

E

-

R

-

P

-

I

V

I

I

F

N

N

L

L

P
|
P

D

A

T
|
T

V

V

G

E

Y

M

T

T

P

P

D

N

E

V

Y

Y

G

A

R

D

M

S

F

I

K

E

Y

W

M

M

K

S

E

R

N

N

V

L

P

A

N

N

I

R

A

E

K

S

A

V

D

I

L

L

S

S

C

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

A

V

A

A

N

A

T

A

M

E

A

L

A

G

I

F

E

A

N

A

G

G

A

A

T

D

Q

R

V

I

E

E

G

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N

N

V

V

A

C

L

L

E

V

E

T

V

L

A

G

V

L

A

N

L

L

H

F

I

S

R

R

A

G

D

V

R

D

Y

P

N

Q

Y

I

E

D

T

F

G

S

L

-

K

N

L

I

D

D

E

E

I

I

K

R

R

R

T

T

S

V

D

E

L

Y

I

C

A

N

K

Q

L

L

S

P

G

-

M

-

Y

-

V

V

Q

H

A

E

N

R

K

H

A

P

I

Y

I

G

G

G

R

D

N

L

A

V

Y

Y

A

T

H

A

E

F

S

S

G

G

I

S

H

H

Q

Q

D

D

G

A

V

I

L

N

K

K

N

G

A

L

E

D

T

A

Y

M

E

K

I

L

I

D

T

A

P

D

E

A

L

A

V

D

G

C

V

D

S

V

S

D

N

D

T

M

L

L

F

W

M

Q

-

V

-

P

-

Y

-

L

-

P

-

I

-

D

G

P

K

R

H

D

S

V

G

G

K

R

H

T

A

-

F

-

K

Y

D

E

K

A

V

V

K

I

E

K

F

G

G

G

V

V

E

A

-

Y

-

I

M

M

T

K

D

T

E

D

E

H

V

G

K

L

S

S

T

L

F

P

R

R

F

L

K

Q

-

I

E

E

L

F

T

S

D

Q

-

V

-

I

H

Q

K

K

R

I

E

E

V

V

T

S

D

P

D

K

D

E

I

M

Y

W

T

D

L

A

I

F

M

A

E

E

T

E

K

Y

T

L

A

A

H

P

S

V

A

R

V

-

N

-

K

-

Y

-

S

P

L

L

E

E

N

R

F

I

Q

R

V

Q

N

H

Y

V

-

D

-

A

-

D

-

G

G

G

T

T

A

T

N

S

I

I

T

-

T

T

A

A

T

T

V

V

S

K

L

I

S

N

T

-

P

-

A

-

G

G

R

V

T

E

V

T

Q

E

T

I

A

S

A

G

T

S

G

G

N

N

G
|
G

S
x
P

V
x
L

E
x
A

A

A

L

F

Y

V

K

H

T

A

I

L

Q

A

E

D

L

-

I

V

D

G

A

F

E

D

L

V

K

A

L

V

L

L

D

D

Y

Y

Q

Y

L

E

N

H

S

A

V

M

G

S

G

A

G

G

K
x
D

D

D

A
|
A

L
x
Q

A

A

E

A

S

A

H

Y

V

V

Q

E

-

A

-

S

-

V

L

T

L

I

V

A

N

T

G

S

E

K

R

T

T

V

N

W

G

G

R

V

G

G

T

I

A

A

Q
x
P

D

S

V
x
I

I

T

E

T

A

A

S

S

A

L

N

R

A

A

Y

V

I

V

N

S

A

A

V

V

N

N

R

R

binding 2-oxo-4-methylpentanoic acid: R63 (= R12), H150 (= H96), Y152 (≠ F98), P235 (= P168), T237 (= T170), H268 (= H201), H270 (= H203)
binding leucine: G500 (= G428), P501 (≠ S429), L502 (≠ V430), A503 (≠ E431), D530 (≠ K459), A532 (= A461), Q533 (≠ L462), P557 (≠ Q483), I559 (≠ V485)
binding zinc ion: D64 (= D13), H268 (= H201), H270 (= H203)

Query Sequence

>WP_017548412.1 NCBI__GCF_000330705.1:WP_017548412.1
MSRIRIFDTTLRDGEQSPGVNLNKMEKLEIAKQLEKLGVDVMEAGFPAASEGDFQAVRLI
ADTVTDVSVTALARTRKEDIDRAWEALKNTPNPRIHIFLATSPIHMEYKLKMTPEEVIKQ
SVDMVRYARERFSEVEWSAEDATRSDWDFMANIIEQVIDVGATVINLPDTVGYTTPDEYG
RMFKYMKENVPNIAKADLSCHCHNDLGLAAANTMAAIENGATQVEGTINGIGERAGNVAL
EEVAVALHIRADRYNYETGLKLDEIKRTSDLIAKLSGMYVQANKAIIGRNAYAHESGIHQ
DGVLKNAETYEIITPELVGVSSNTLFMGKHSGKHAFKDKVKEFGVEMTDEEVKSTFRRFK
ELTDHKREVTDDDIYTLIMETKTAHSAVNKYSLENFQVNYGTANITTATVSLSTPAGRTV
QTAATGNGSVEALYKTIQELIDAELKLLDYQLNSVGGGKDALAESHVQLLVNGERTNGRG
TAQDVIEASANAYINAVNRYLITAQASKEKEAVNG

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