SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011914312.1 NCBI__GCF_000013785.1:WP_011914312.1 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 MC58) (see 2 papers)
66% identity, 100% coverage: 1:513/514 of query aligns to 1:513/517 of Q9JZG1

query
sites
Q9JZG1

M

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G

D16 (= D16) binding Mn(2+)
H204 (= H204) binding Mn(2+)
H206 (= H206) binding Mn(2+)
N240 (= N240) binding Mn(2+)

Sites not aligning to the query:

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

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
67% identity, 62% coverage: 4:323/514 of query aligns to 1:307/308 of 3rmjB

query
sites
3rmjB

N

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W

W

active site: Q16 (= Q19)
binding manganese (ii) ion: D13 (= D16), H201 (= H204), H203 (= H206), N237 (= N240)

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
47% identity, 74% coverage: 1:382/514 of query aligns to 12:408/409 of 6e1jA

query
sites
6e1jA

M

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A

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A

S

R

R

F

F

K

R

E

D

L

L

A

T

D

K

K

Q

K

K

H

K

E

R

I

V

F

T

D

D

E

D

D

D

L

L

Q

K

A

A

L

L

V

V

S

T

binding coenzyme a: Q30 (= Q19), F60 (= F49), S63 (≠ A52), I95 (≠ L75), R97 (= R77), F121 (= F101), K132 (= K112), L133 (= L113), S322 (= S299), G323 (= G300), I324 (= I301), D327 (= D304), K331 (= K308), L359 (≠ H333), R362 (= R336), H363 (≠ A337)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (= P171), T194 (= T173), H225 (= H204), H227 (= H206)
binding manganese (ii) ion: D27 (= D16), V82 (vs. gap), E84 (vs. gap), H225 (= H204), H227 (= H206)

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, 74% coverage: 1:381/514 of query aligns to 79:474/503 of Q9FN52

query
sites
Q9FN52

M

L

S

P

S

H

N

K

D

N

R

Y

V

V

I

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I

V

F

L

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D

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T

L

L

R

R

D

D

G

G

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Q

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P

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G

A

A

S

A

M

L

T

T

G

P

E

P

E

Q

K

K

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I

I

A

A

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R

A

Q

L

L

E

A

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L

L

K

R

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V

D

D

V

I

I

M

E

E

A

V

G

G

F

F

A

P

I

V

A

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S

S

P

E

G

E

D

E

F

F

A

E

A

A

V

I

K

K

L

T

V

I

A

A

D

K

N

T

I

V

K

G

D

N

-

E

-

V

-

D

-

E

-

T

-

G

-

Y

-

V

S

P

T

V

V

I

C

C

S

G

L

I

A

A

R

R

A

C

V

K

D

K

A

R

D

D

I

I

E

E

R

A

A

T

A

W

E

E

A

A

L

L

A

K

G

Y

A

A

N

K

S

R

G

P

R

R

I

V

H

M

T

L

F

F

I

T

A

S

T

T

S

S

P

E

I

I

H

H

M

M

Q

K

Y

Y

K

K

L

L

R

K

M

K

Q

T

P

K

D

E

Q

E

V

V

V

I

E

E

Q

M

A

A

V

V

R

N

A

S

V

V

K

K

K

Y

A

A

R

K

S

S

L

L

-

G

C

F

A

K

D

D

V

I

E

Q

F

F

S

G

C

C

E

E

D

D

A

G

G

G

R

R

S

T

E

E

I

K

D

D

F

F

L

I

C

C

R

K

I

I

I

L

E

G

A

E

A

S

I

I

D

K

A

A

G

G

A

A

R

T

T

T

I

V

N

G

I

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A

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D

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T

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G
|
G

Y

I

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E

Y

F

A

G

D

E

T

L

I

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A

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Y

L

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L

I

E

E

R

N

I

T

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P

N

G

A

A

D

D

K

D

A

I

V

V

F

F

S

A

V

I

H

H

C

C

H

H

N

N

D

D

L

L

G

G

L

V

A

A

V

T

A

A

N

N

S

T

L

I

A

S

A

G

V

I

V

C

A

A

G

G

A

A

R

R

Q

Q

V

V

E

E

C

V

T

T

I

I

N

N

G

G

L

I

G

G

E

E

R

R

A

S

G

G

N

N

A

A

A

P

L

L

E

E

I

V

V

V

M

M

A

A

I

L

K

K

T

C

R

R

-

G

Q

E

D

S

L

L

L

M

D

D

-

G

V

V

H

Y

T

T

R

K

I

I

E

D

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S

E

R

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Q

I

I

L

M

A

A

A

T

S

S

R

K

L

M

V

V

S

Q

G

E

I

H

T

T

G

G

F

M

P

Y

V

V

Q

Q

P

P

N

H

K

K

A

P

I

I

V

V

G

G

A

D

N

N

A

C

F

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

H

N

R

R

E

S

T

T

Y

Y

E

E

I

I

M

L

S

S

A

P

Q

E

S

D

V

V

G

G

W

I

N

V

A

K

N

S

K

E

-

N

-

S

-

G

M

I

V

V

M

L

G

G

K

K

H

L

S

S

G

G

R

R

A

H

A

A

F

V

R

K

S

D

R

R

L

L

D

K

E

E

L

L

G

G

I

Y

L

E

L

I

E

S

G

D

D

E

E

K

L

F

N

N

A

D

A

I

F

F

A

S

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R

F

Y

K

R

E

E

L

L

A

T

D

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K

D

K

K

H

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E

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I

F

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D

E

A

D

D

L

L

Q

K

A

A

L

L

V

V

G263 (= G175) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
48% identity, 75% coverage: 1:384/514 of query aligns to 79:477/506 of Q9FG67

query
sites
Q9FG67

M

L

S

P

S

D

N

G

D

N

R

Y

V

V

I

R

I

V

F

F

D

D

T

T

L

L

R

R

D

D

G

G

E

E

Q

Q

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P

G

G

A

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S
|
S

M

L

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T

G

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E

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E

I

I

A

A

R

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D

V

I

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E

E

A

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A

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I

G

A

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S

S

P

E

G

E

D

E

F

L

A

E

A

T

V

I

K

K

L

T

V

I

A

A

D

K

N

T

I

V

K

G

D

N

-

E

-

V

-

D

-

E

-

T

-

G

-

Y

-

V

S

P

T

V

V

I

C

C

S

A

L

I

A

A

R

R

A

C

V

K

D

H

A

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D

I

I

E

E

R

A

A

T

A

W

E

E

A

A

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G

Y

A

A

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G

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F

F

I

T

A

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T

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S

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D

I

I

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H

M

M

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K

Y

Y

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L

R

K

M

K

Q

T

P

Q

D

E

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E

E

Q

M

A

A

V

V

R

S

A

S

V

I

K

R

K

F

A

A

R

K

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S

L

L

-

G

C

F

A

N

D

D

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C

C

E

E

D

D

A

G

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K

D

D

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F

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A

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A

A

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K

A

A

G

G

A

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R

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T

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I

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N

T

I

I

P

G

D

D

T

T

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V

G

G

Y

I

A

N

I

M

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P

H

H

Q

E

Y

Y

A

G

D

E

T

L

I

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T

Q

Y

L

L

L

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E

A

R

N

I

T

P

P

N

G

A

I

D

D

K

D

A

V

V

V

F

V

S
x
A

V

V

H

H

C

C

H

H

N

N

D

D

L

L

G

G

L

L

A

A

V

T

A

A

N

N

S

S

L

I

A

A

A

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V

R

A

A

G

G

A

A

R

R

Q

Q

V

V

E

E

C

V

T

T

I

I

N

N

G

G

L

I

G

G

E

E

R

R

A

S

G

G

N

N

A

A

A

S

L

L

E

E

I

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V

V

M

M

A

A

I

L

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K

T

C

R

R

Q

G

D

A

L

Y

L

V

-

I

-

N

D

G

V

V

H

Y

T

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R

K

I

I

E

D

T

T

E

R

H

Q

I

I

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M

A

A

A

T

S

S

R

K

L

M

V

V

S

Q

G

E

I

Y

T

T

G

G

F

L

P

Y

V

V

Q

Q

P

A

N

H

K

K

A

P

I

I

V

V

G

G

A

A

N

N

A

C

F

F

A

V

H

H

E

E

S

S

G

G

I

I

H

H

Q

Q

D

D

G

G

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I

L

L

K

K

H

N

R

R

E

S

T

T

Y

Y

E

E

I

I

M

L

S

S

A

P

Q

E

S

D

V

I

G

G

W

I

N

V

A

K

N

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K

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-

N

-

S

-

G

M

L

V

V

M

L

G

G

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K

H

L

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S

G

G

R

R

A

H

A

A

F

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K

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D

R

R

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L

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K

E

E

L

L

G

G

I

Y

L

E

L

L

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D

D

E

E

K

L

L

N

N

A

A

A

V

F

F

A

S

R

L

F

F

K

R

E

D

L

L

A

T

D

K

K

N

K

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K

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I

I

F

T

D

D

E

A

D

D

L

L

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A

A

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L

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T

D

S

T

S

S102 (= S24) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ S202) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
35% identity, 70% coverage: 6:363/514 of query aligns to 21:370/399 of 6ktqA

query
sites
6ktqA

R

K

V

V

I

G

I

I

F

L

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

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T

P

P

G

G

A

V

S

V

M

F

T

T

G

T

E

D

E

Q

K

R

L

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R

E

I

I

A

A

R

K

A

A

L

L

E

S

R

D

L

I

K

G

V

V

D

Q

V

M

I

I

E

E

A

A

G

G

F

H

A

P

I

A

A
x
V

S

S

P

P

G

D

D

I

F

Y

A

E

A

G

-

I

-

R

-

I

V

I

K

K

L

L

V

K

A

R

D

E

N

G

I

V

K

I

D

K

S

S

T

E

V

I

C

V

S

A

L

H

A

S

R
|
R

A
|
A

V

V

D

K

A

R

D

D

I

I

E

E

R

V

A

G

A

A

E

E

A

-

L

-

A

-

G

-

A

I

N

E

S

A

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D

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R

I

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I

F
|
F

I

Y

A

G

T

I

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S

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D

I

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H

H

M

L

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K

Y

A

K

K

L
x
H

R

H

M

T

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T

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R

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D

Q

E

V

A

V

L

E

R

Q

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A

I

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A

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A

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V

V

K

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K

Y

A

A

R

K

S

S

L

H

C

G

A

V

D

K

V

V

E
x
R

F

F

S
x
T

C

A

E
|
E

D

D

A

A

G

T

R

R

S

A

E

D

I

Y

D

Q

F

Y

L

L

C

L

R

E

I

V

I

I

E

K

A

T

A

V

I

R

D

D

A

A

G

G

A

A

R

D

T

R

I

V

N
x
S

I

I

P

A

D

D

T
|
T

V

V

G

G

Y

V

A

L

I

Y

P

P

H

S

Q

R

Y

T

A

R

D

E

T

L

I

F

R

K

Q

D

L

L

L

T

E

S

R

R

I

F

P

P

N

D

A

I

D

E

K

-

A

-

V

-

F

F

S

D

V

I

H
|
H

C

A

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

V

V

A

A

N

N

S

V

L

L

A

A

V

A

V

E

A

G

G

G

A

A

R

T

Q

I

V

I

E

H

C

T

T

T

I

L

N

N

G

G

L

L

G

G

E

E

R

R

A

V

G

G

N

I

A

A

A

P

L

L

E

Q

E

V

I

V

V

A

M

A

A

A

I

L

K

K

T

Y

R

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Q

F

D

G

L

I

L

E

D

V

V

V

H

D

T

L

R

K

I

K

E

L

T

S

E

E

H

-

I

-

L

-

A

-

A

V

S

A

R

S

L

L

V

V

S

E

G

K

I

Y

T

S

G

G

F

I

P

A

V

L

Q

P

P

P

N

N

K

F

A

P

I

I

V

T

G

G

A

D

N

Y

A

A

F

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

H

D

R

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E

K

T

T

Y

Y

E

E

I

F

M

L

S

P

A

P

Q

E

S

T

V

F

G

G

W

R

N

S

A

R

N

D

K

-

M

Y

V

V

M

I

G

D

K

K

H

Y

S

T

G

G

R

K

A

H

A

A

F

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D

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F

D

D

E

R

L

L

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G

I

V

L

K

L

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S

E

E

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D

A

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A

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F

L

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K

F

I

K

K

binding 2-oxoglutaric acid: R30 (= R15), R154 (≠ E139), T156 (≠ S141), E158 (= E143), S184 (≠ N169), T188 (= T173), H216 (= H204), H218 (= H206)
binding coenzyme a: V67 (≠ A52), R96 (= R77), A97 (= A78), F116 (= F101), H128 (≠ L113), E158 (= E143)
binding zinc ion: E31 (≠ D16), H216 (= H204), H218 (= H206)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
30% identity, 72% coverage: 9:380/514 of query aligns to 6:379/380 of 4ov9A

query
sites
4ov9A

I

I

F

Q

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

N

Q
|
Q

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A

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L

G

K

A

R

S

P

M

W

T

T

G

I

E

D

E

E

K

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L

I

R

E

I

V

A

F

R

D

A

L

L

L

E

V

R

E

L

L

K

N

V

V

D

D

V

G

I

I

E

E

A

V

G

G

F

F

A

P

I

S

A

S

S

N

P

E

G

T

D

E

F

F

A

H

A

T

V

C

K

Q

L

V

V

L

A

S

D

K

N

R

I

A

-

P

K

K

D

G

S

K

T

P

V

I

C

A

S

A

L
|
L

A

S

R

R

A

A

V

N

D

Q

A

N

D

E

I

I

E

A

R

V

A

T

A

W

E

E

A

A

L

I

A

Q

G

K

A

A

N

D

S

C

G

P

R

R

I

M

H

H

T

I

F

V

I

Y

A

P

T

V

S

S

P

D

I

F

H

S

M

I

Q

K

Y

H

K

V

L

L

R

K

M

I

Q

S

P

E

D

K

Q

E

V

V

V

L

E

Q

Q

K

A

I

V

R

R

N

A

S

V

I

K

S

K

F

A

A

R

R

S

S

L

I

C

V

A

G

-

P

-

G

-

I

D

E

V

I

E

Q

F

F

S

S

C

G

E

E

D

H

A

F

G

G

R

D

S

A

-

I

-

E

E

N

I

F

D

A

F

F

L

T

C

K

R

E

I

A

I

F

E

L

A

T

A

A

I

I

D

E

A

A

G

G

A

A

R

N

T

I

I

I

N

N

I

L

P

P

D

N

T
|
T

V

V

G

E

Y

R

A

Y

I

R

P

P

H

M

Q

V

Y

F

A

V

D

N

T

M

I

V

R

K

Q

E

L

I

L

K

E

D

R

V

I

V

P

-

N

-

A

K

D

D

K

K

A

A

V

I

F

I

S

S

V

I

H
|
H

C

T

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

V

T

A

A

N

T

S

S

L

V

A

E

A

S

V

V

V

Y

A

V

G

G

A

A

R

E

Q

Q

V

I

E

E

C

V

T

A

I

L

N

N

G

G

L

L

G

G

E

E

R

R

A

A

G

G

N

N

A

T

A

N

L

L

E

Y

E

E

I

T

V

A

M

I

A

A

I

L

K

H

T

Q

R

N

Q

G

D

E

L

N

L

L

D

N

V

-

H

-

T

-

R

-

I

I

E

N

T

F

E

Q

H

R

I

I

L

Y

A

P

A

T

S

A

R

K

L

R

V

I

S

S

G

E

I

L

T

T

G

G

F

I

P

P

V

I

Q

G

P

E

N

K

K

T

A

P

I

I

V

I

G

G

A

E

N

D

A

I

F

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

H

S

R

K

E

G

T

A

Y

Y

E

R

I

T

M

F

S

S

A

P

Q

E

S

F

V

V

G

G

-

R

W

M

N

D

A

K

N

E

K

T

M

I

V

S

M

F

G

T

K

N

H

Q

S

S

G

G

R

H

A

K

A

A

F

I

R

E

S

F

R

L

L

L

D

H

E

Q

L

R

G

G

I

I

L

Q

L

V

E

S

G

K

D

E

E

G

L

I

N

H

A

H

A

L

F

F

A

S

R

L

F

A

K

K

E

S

L

I

A

S

D

S

K

R

K

E

H

N

-

N

-

R

E

E

I

I

F

T

D

E

E

A

D

E

L

L

Q

V

A

A

L

L

active site: Q16 (= Q19)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R15), L73 (= L75), T176 (= T173), H205 (= H204), H207 (= H206)
binding zinc ion: D13 (= D16), H205 (= H204), H207 (= H206)

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
30% identity, 72% coverage: 9:380/514 of query aligns to 6:377/379 of 4ov4A

query
sites
4ov4A

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

A

R

S

P

M

W

T

T

G

I

E

D

E

E

K

K

L

I

R

E

I

V

A

F

R

D

A

L

L

L

E

V

R

E

L

L

K

N

V

V

D

D

V

G

I

I

E

E

A

V

G

G

F

F

A

P

I

S

A

S

S

N

P

E

G

T

D

E

F

F

A

H

A

T

V

C

K

Q

L

V

V

L

A

S

D

K

N

R

I

A

-

P

K

K

D

G

S

K

T

P

V

I

C

A

S

A

L

L

A

S

R

R

A

A

V

N

D

Q

A

N

D

E

I

I

E

A

R

V

A

T

A

W

E

E

A

A

L

I

A

Q

G

K

A

A

N

D

S

C

G

P

R

R

I

M

H

H

T

I

F

V

I

Y

A

P

T

V

S

S

P

D

I

F

H

S

M

I

Q

K

Y

H

K

V

L

L

R

K

M

I

Q

S

P

E

D

K

Q

E

V

V

V

L

E

Q

Q

K

A

I

V

R

R

N

A

S

V

I

K

S

K

F

A

A

R

R

S

S

L

I

C

V

A

G

-

P

-

G

-

I

D

E

V

I

E

Q

F

F

S

S

C

G

E

E

D

H

A

F

G

G

R

D

S

A

-

I

-

E

E

N

I

F

D

A

F

F

L

T

C

K

R

E

I

A

I

F

E

L

A

T

A

A

I

I

D

E

A

A

G

G

A

A

R

N

T

I

I

I

N

N

I

L

P
|
P

D

N

T
|
T

V

V

G

E

Y

R

A

Y

I

R

P

P

H

M

Q

V

Y

F

A

V

D

N

T

M

I

V

R

K

Q

E

L

I

L

K

E

D

R

V

I

V

P

-

N

-

A

K

D

D

K

K

A

A

V

I

F

I

S

S

V

I

H
|
H

C

T

H
|
H

N

N

D

D

L

L

G

G

L

M

A

A

V

T

A

A

N

T

S

S

L

V

A

E

A

S

V

V

V

Y

A

V

G

G

A

A

R

E

Q

Q

V

I

E

E

C

V

T

A

I

L

N

N

G

G

L

L

G

G

E

E

R

R

A

A

G

G

N

N

A

T

A

N

L

L

E

Y

E

E

I

T

V

A

M

I

A

A

I

L

K

H

T

Q

R

N

Q

G

D

E

L

N

L

L

D

N

V

-

H

-

T

-

R

-

I

I

E

N

T

F

E

Q

H

R

I

I

L

Y

A

P

A

T

S

A

R

K

L

R

V

I

S

S

G

E

I

L

T

T

G

G

F

I

P

P

V

I

Q

G

P

E

N

K

K

T

A

P

I

I

V

I

G

G

A

E

N

D

A

I

F

F

A

S

H

H

E

R

S

S

G

G

I

I

H

H

Q

Q

D

H

G

-

V

-

L

-

K

Q

H

S

R

K

E

G

T

A

Y

Y

E

R

I

T

M

F

S

S

A

P

Q

E

S

F

V

V

G

G

-

R

W

M

N

D

A

K

N

E

K

T

M

I

V

S

M

F

G

T

K

N

H

Q

S

S

G

G

R

H

A

K

A

A

F

I

R

E

S

F

R

L

L

L

D

H

E

Q

L

R

G

G

I

I

L

Q

L

V

E

S

G

K

D

E

E

G

L

I

N

H

A

H

A

L

F

F

A

S

R

L

F

A

K

K

E

S

L

I

A

S

D

S

K

R

K

E

H

N

-

N

-

R

E

E

I

I

F

T

D

E

E

A

D

E

L

L

Q

V

A

A

L

L

active site: Q16 (= Q19)
binding 3-methyl-2-oxobutanoic acid: R12 (= R15), P174 (= P171), T176 (= T173), H205 (= H204), H207 (= H206)
binding zinc ion: D13 (= D16), H205 (= H204), H207 (= H206)

Q8F3Q1 (R)-citramalate synthase CimA; LiCMS; EC 2.3.3.21 from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Lai (strain 56601) (see 2 papers)
29% identity, 85% coverage: 6:443/514 of query aligns to 7:442/516 of Q8F3Q1

query
sites
Q8F3Q1

R

R

V

L

I

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

A

V

S

S

M

F

T

S

G

T

E

S

E

E

K

K

L

L

R

N

I

I

A

A

R

K

-

F

A

L

L

L

E

Q

R

K

L

L

K

N

V

V

D

D

V

R

I

V

E

E

A

I

G

A

F

S

A

A

I

R

A

V

S

S

P

K

G

G

D

E

-

L

-

E

-

T

-

V

-

Q

-

K

-

I

-

M

-

E

F

W

A

A

V

T

K

E

L

Q

V

L

A

T

D

E

N

R

I

I

K

E

D

I

S
x
L

T

G

V
x
F

C

V

S

D

L

G

A

N

R

K

A

T

V

V

D

D

A

W

D

I

I

K

E

D

R

S

A

G

A

A

E

K

A

V

L

L

A

N

G

L

A
x
L

N

T

S

K

G

G

R

S

I

L

H

H

T

-

F

-

I

-

A

-

T

-

S

-

P

-

I

-

H

H

M

L

Q

E

Y

K

K

Q

L

L

R

G

M

K

Q

T

P

P

D

K

Q

E

-

F

-

T

-

D

-

V

-

S

-

F

V

V

V

I

E

E

Q

Y

A

A

V

I

R

K

A

S

V

G

K

L

K

K

A

I

R

N

S

V

L
x
Y

C

L

A
x
E

D

D

V

-

E

-

F

-

S

-

C

W

E

S

D

N

A

G

G

F

R

R

S

N

E

S

I

P

D

D

F

Y

L

V

C

K

R

S

I

L

I

V

E

E

A

H

A

L

I

S

D

K

A

E

G

H

A

I

R

E

T

R

I

I

N

F

I

L

P

P

D

D

T
|
T

V

L

G

G

Y

V

A

L

I

S

P

P

H

E

Q

E

Y

T

A

F

D

Q

T

G

I

V

R

D

Q

S

L

L

L

I

E

Q

R

K

I

Y

P

P

N

D

A

I

D

H

K

-

A

-

V

-

F

F

S

E

V

F

H

H

C

G

H

H

N

N

D

D

L

Y

G

D

L

L

A

S

V

V

A

A

N

N

S

S

L

L

A

Q

A

A

V

I

V

R

A

A

G

G

A

V

R

K

Q

G

V

L

E

H

C

A

T

S

I

I

N

N

G

G

L

L

G

G

E

E

R

R

A

A

G

G

N

N

A

T

A

P

L

L

E

E

E

A

I

L

V

V

M

T

A

T

I

I

K

-

T

-

R

-

Q

H

D

D

L

K

L

S

D

N

V

S

H

K

T

T

R

N

I

I

E

N

T

E

E

I

H

A

I

I

L

T

A

E

A

A

S

S

R

R

L

L

V

V

S

E

G

V

I

F

T

S

G

G

F

K

P

R

V

I

Q

S

P

A

N

N

K

R

A

P

I

I

V

V

G

G

A

E

N

D

A

V

F

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

H

G

R
x
N

E
x
L

T
x
Y

Y

A

E

N

I

P

M

I

S

L

A

P

Q

E

S

R

V

F

G

G

W

-

N

R

A

K

N

R

K

S

M

Y

V

A

M

L

G

G

K

K

H

L

S

A

G

G

R

K

A

A

A

S

F

I

R

S

S

E

R

N

L

V

D

K

E

Q

L

L

G

G

I

M

L

V

L

L

E

S

G

E

D

V

E

V

L

L

N

Q

A

K

A

V

F

L

A

E

R

R

F

V

K

I

E

E

L

L

A

G

D

D

K

Q

K

N

H

K

E

L

I

V

F

T

D

P

E

E

D

D

L

L

Q

P

A

F

L

I

V

I

S

A

D

D

T

V

L

S

A

G

D

R

E

T

A

G

P

E

E

K

H

V

F

L

K

T

L

I

A

K

S

S

L

C

E

N

V

I

A

H

S

S

K

G

T

I

G

G

T

I

I

R

P

P

E

H

A

A

K

Q

L

I

V

E

L

L

S

E

V

Y

D

Q

G

G

A

K

E

I

R

H

S

K

A

E

Q

I

A

S

Q

E

G

G

S

D

G

G

P

G

V
x
Y

D
|
D

A

A

T

F

F

M

K

N

A

A

I

L

E

T

A

K

I

I

A

T

D

N

R16 (= R15) mutation R->K,Q: Loss of activity.
RD 16:17 (= RD 15:16) binding pyruvate
D17 (= D16) 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 (≠ S70) 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 (≠ V72) mutation to A: 5-fold increase in Km for acetyl-CoA and 120-fold decrease in kcat.
L104 (≠ A93) mutation to V: 1.8-fold increase in Km for pyruvate and 3.4-fold decrease in kcat.
Y144 (≠ L134) 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 (≠ A136) mutation E->D,Q: Minor effects on the binding of acetyl-CoA, but causes a strong decrease in kcat.
T179 (= T173) binding pyruvate; mutation to A: 16.4-fold increase in Km for pyruvate and 186-fold decrease in kcat.
H302 (= H302) mutation H->A,N: Loss of activity.
D304 (= D304) mutation to A: 5.2-fold increase in Km for acetyl-CoA and 16.6-fold decrease in kcat.
N310 (≠ R310) mutation to A: 2.2-fold increase in Km for acetyl-CoA and 1.7-fold decrease in kcat.
L311 (≠ E311) mutation to A: 8-fold increase in Km for acetyl-CoA and 6-fold decrease in kcat.
Y312 (≠ T312) mutation to A: Loss of activity.
Y430 (≠ V431) mutation to L: No change in Km for acetyl-CoA and 2.3-fold decrease in kcat. Severely impairs inhibition by isoleucine.
D431 (= D432) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 5-fold decrease in kcat.

Sites not aligning to the query:

451 L→V: 1.5-fold increase in Km for acetyl-CoA and 4.3 decrease in kcat.
454 Y→A: 1.4 decrease in Km for acetyl-CoA and 17-fold decrease in kcat. Still inhibited by isoleucine and weakly inhibited by leucine.
458 I→A: 1.3-fold decrease in Km for acetyl-CoA and 14-fold decrease in kcat. Abolishes inhibition by isoleucine.
464 T→A: 1.8-fold decrease in Km for acetyl-CoA and 4.3-fold decrease in kcat.
468 V→A: No change in Km for acetyl-CoA and 2-fold decrease in kcat. Increases inhibition by isoleucine and leucine becomes an effective inhibitor.
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.

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
30% identity, 71% coverage: 9:375/514 of query aligns to 6:365/376 of O87198

query
sites
O87198

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R12 (= R15) binding 2-oxoglutarate
E13 (≠ D16) binding Mg(2+)
H72 (≠ S74) 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 (≠ H99) binding L-lysine
R133 (vs. gap) binding 2-oxoglutarate
S135 (= S141) binding L-lysine
T166 (= T173) binding 2-oxoglutarate; binding L-lysine
H195 (= H204) binding Mg(2+)
H197 (= H206) binding Mg(2+)

Q9Y823 Homocitrate synthase, mitochondrial; HCS; EC 2.3.3.14 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see 2 papers)
29% identity, 70% coverage: 9:367/514 of query aligns to 37:386/418 of Q9Y823

query
sites
Q9Y823

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D

R43 (= R15) binding 2-oxoglutarate; mutation R->A,K,Q: Abolishes the catalytic activity.
E44 (≠ D16) binding 2-oxoglutarate; binding L-lysine; binding Zn(2+)
Q47 (= Q19) mutation to A: Abolishes the catalytic activity.
E74 (= E46) 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 (≠ A78) binding 2-oxoglutarate; mutation to A: Substantially impairs catalytic efficiency.
D123 (≠ H99) binding L-lysine; mutation to N: Does not affect the catalytic activity but impairs L-lysine inhibition.
R163 (≠ E139) 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 (= S141) binding 2-oxoglutarate; mutation to A: Results in a moderate decrease in catalytic efficiency.
E167 (= E143) mutation E->A,Q: Abolishes the catalytic activity.
T197 (= T173) 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 (≠ S202) mutation to Q: Does not affect the catalytic activity but impairs L-lysine inhibition.
H224 (= H204) binding 2-oxoglutarate; binding Zn(2+)
H226 (= H206) binding 2-oxoglutarate; binding Zn(2+)
R288 (≠ L269) mutation to K: Does not affect the catalytic activity but impairs L-lysine inhibition.
Y332 (= Y313) mutation to A: Abolishes the catalytic activity.; mutation to F: Results in a decrease in catalytic efficiency.
Q364 (≠ E345) 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, 70% coverage: 9:367/514 of query aligns to 32:381/400 of 3ivtB

query
sites
3ivtB

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active site: Q42 (= Q19)
binding 2-oxoglutaric acid: R38 (= R15), H98 (≠ A78), R158 (≠ E139), S160 (= S141), T192 (= T173), H219 (= H204), H221 (= H206)
binding zinc ion: E39 (≠ D16), H219 (= H204), H221 (= H206)

3bliA Crystal structure of the catalytic domain of licms in complexed with pyruvate and acetyl-coa (see paper)
31% identity, 58% coverage: 6:302/514 of query aligns to 1:296/311 of 3bliA

query
sites
3bliA

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I

G

A

F

S

A

A

I
x
R

A
x
V

S

S

P

K

G

G

D

E

-

L

-

E

-

T

-

V

-

Q

-

K

-

I

-

M

-

E

F

W

A

A

V

T

K

E

L

Q

V

L

A

T

D

E

N

R

I

I

K

E

D

I

S

L

T

G

V

F

C

V

S

D

L

G

A

N

R

K

A

T

V

V

D

D

A

W

D

I

I

K

E

D

R

S

A

G

A

A

E

K

A

V

L

L

A

N

G

L

A

L

N

T

S

K

G

G

R

S

I

L

H

H

T

-

F

-

I

-

A

-

T

-

S

-

P

-

I

-

H

H

M

L

Q

E

Y

K

K

Q

L

L

R

G

M

K

Q

T

P

P

D

K

Q

E

-

F

-

T

-

D

-

V

-

S

-

F

V

V

V

I

E

E

Q

Y

A

A

V

I

R

K

A

S

V

G

K

L

K

K

A

I

R

N

S

V

L
x
Y

C

L

A
x
E

D

D

V

-

E

-

F

-

S

-

C

W

E

S

D

N

A

G

G

F

R

R

S

N

E

S

I

P

D

D

F

Y

L

V

C

K

R

S

I

L

I

V

E

E

A

H

A

L

I

S

D

K

A

E

G

H

A

I

R

E

T

R

I

I

N

F

I

L

P
|
P

D

D

T
|
T

V

L

G

G

Y

V

A

L

I

S

P

P

H

E

Q

E

Y

T

A

F

D

Q

T

G

I

V

R

D

Q

S

L

L

L

I

E

Q

R

K

I

Y

P

P

N

D

A

I

D

H

K

-

A

-

V

-

F

F

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

Y

G

D

L

L

A

S

V

V

A

A

N

N

S

S

L

L

A

Q

A

A

V

I

V

R

A

A

G

G

A

V

R

K

Q

G

V

L

E

H

C

A

T

S

I

I

N

N

G

G

L

L

G

G

E

E

R

R

A

A

G

G

N

N

A

T

A

P

L

L

E

E

E

A

I

L

V

V

M

T

A

T

I

I

K

-

T

-

R

-

Q

H

D

D

L

K

L

S

D

N

V

S

H

K

T

T

R

N

I

I

E

N

T

E

E

I

H

A

I

I

L

T

A

E

A

A

S

S

R

R

L

L

V

V

S

E

G

V

I

F

T

S

G

G

F

K

P

R

V

I

Q

S

P

A

N

N

K

R

A

P

I

I

V

V

G

G

A

E

N

D

A

V

F

F

A

T

H

Q

E

T

S

A

G

G

I

V

H

N

active site: Q14 (= Q19)
binding acetyl coenzyme *a: Q14 (= Q19), R47 (≠ I51), V48 (≠ A52), E140 (≠ A136)
binding pyruvic acid: R10 (= R15), Y138 (≠ L134), P171 (= P171), T173 (= T173)
binding zinc ion: D11 (= D16), H201 (= H204), H203 (= H206)

3mi3A Homocitrate synthase lys4 bound to lysine (see paper)
29% identity, 70% coverage: 9:367/514 of query aligns to 14:352/370 of 3mi3A

query
sites
3mi3A

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

A

A

S

F

M

F

T

D

G

T

E

E

E

K

K

K

L

I

R

Q

I

I

A

A

R

K

A

A

L

L

E

D

R

N

L

F

K

G

V

V

D

D

V

Y

I

I

E

E

A

L

G

T

F

S

A

P

I

V

A

A

S

S

P

E

G

Q

D

S

F

R

A

Q

A

D

V

C

K

E

L

A

V

I

A

C

D

-

N

-

I

-

K

K

D

L

S

G

T

L

V

K

C

C

S

K

L

I

A

L

R

T

A

H

V

I

D

R

A

C

D

H

I

M

E

D

R

D

A

A

A

R

E

V

A

A

L

V

A

E

G

T

A

G

N

V

S

D

G

G

R

-

I

V

H
x
D

T

V

F

V

I

I

A

G

T

T

S

S

P

-

I

-

H

-

M

M

Q

T

Y

Y

K

-

L

-

R

-

M

-

Q

-

P

-

D

-

Q

-

V

I

E

D

Q

S

A

A

V

T

R

E

A

V

V

I

K

N

K

F

A

V

R

K

S

S

L

K

C

G

A

I

D

E

V

V

E

R

F

F

S

S

C

S

E

E

D

D

A

S

G

F

R

R

S

S

E

D

I

L

D

V

F

D

L

L

C

L

R

S

I

L

I

Y

E

K

A

A

A

V

I

D

D

K

A

I

G

G

A

V

R

N

T

R

I

V

N

G

I

I

P

A

D

D

T
|
T

V

V

G

G

Y

C

A

A

I

T

P

P

H

R

Q

Q

Y

V

A

Y

D

D

T

L

I

I

R

R

Q

T

L

L

L

-

E

R

R

G

I

V

P

V

N

S

A

C

D

D

K

-

A

-

V

-

F

I

S

E

V

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

V

I

A

A

N

N

S

A

L

Y

A

C

A

A

V

L

V

E

A

A

G

G

A

A

R

T

Q

H

V

I

E

D

C

T

T

S

I

I

N

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

A

P

L

L

E

G

E

A

I

L

V

L

-

A

-

R

M

M

A

Y

I

V

K

T

T

D

R

R

Q

E

D

Y

L

I

L

T

D

H

V

-

H

-

T

-

R

K

I

Y

E

K

T

L

E

N

H

Q

I

L

L

R

A

E

A

L

S

E

R

N

L

L

V

V

S

A

G

D

I

A

T

V

G

E

F

V

P

Q

V

I

Q

P

P

F

N

N

K

N

A

Y

I

I

V

T

G

G

A

M

N

C

A

A

F

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

H

N

R

P

E

S

T

T

Y

Y

E

E

I

I

M

L

S

K

A

P

Q

E

S

D

V

F

G

G

W

M

N

S

A

R

N

Y

K

V

M

H

V

V

M

G

G

S

K

R

H

L

S

T

G

G

R

W

A

N

A

A

F

I

R

K

S

S

R

R

L

A

D

E

E

Q

L

L

G

N

I

L

L

H

L

L

E

T

G

D

D

A

E

Q

L

A

N

K

A

E

A

L

F

T

A

V

R

R

F

I

K

K

E

K

L

L

A

A

D

D

active site: Q24 (= Q19)
binding lysine: R20 (= R15), D100 (≠ H99), T163 (= T173), H190 (= H204), H192 (= H206)
binding zinc ion: E21 (≠ D16), H190 (= H204), H192 (= H206)

3ivsA Homocitrate synthase lys4 (see paper)
29% identity, 70% coverage: 9:366/514 of query aligns to 14:346/364 of 3ivsA

query
sites
3ivsA

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

A

A

S

F

M

F

T

D

G

T

E

E

E

K

K

K

L

I

R

Q

I

I

A

A

R

K

A

A

L

L

E

D

R

N

L

F

K

G

V

V

D

D

V

Y

I

I

E

E

A

L

G

T

F

S

A

P

I

V

A

A

S

S

P

E

G

Q

D

S

F

R

A

Q

A

D

V

C

K

E

L

A

V

I

A

C

D

-

N

-

I

-

K

K

D

L

S

G

T

L

V

K

C

C

S

K

L

I

A

L

R

T

A

H

V

I

D

R

A

C

D

H

I

M

E

D

R

D

A

A

A

R

E

V

A

A

L

V

A

E

G

T

A

G

N

V

S

D

G

G

R

-

I

V

H

D

T

V

F

V

I

I

A

G

T

T

S

T

P

Y

I

I

H

-

M

-

Q

-

Y

-

K

-

L

-

R

-

M

-

Q

-

P

-

D

-

Q

-

V

-

V

I

E

D

Q

S

A

A

V

T

R

E

A

V

V

I

K

N

K

F

A

V

R

K

S

S

L

K

C

G

A

I

D

E

V

V

E

R

F

F

S

S

C

S

E

E

D

D

A

S

G

F

R

R

S

S

E

D

I

L

D

V

F

D

L

L

C

L

R

S

I

L

I

Y

E

K

A

A

A

V

I

D

D

K

A

I

G

G

A

V

R

N

T

R

I

V

N

G

I

I

P

A

D

D

T

T

V

V

G

G

Y

C

A

A

I

T

P

P

H

R

Q

Q

Y

V

A

Y

D

D

T

L

I

I

R

R

Q

T

L

L

L

-

E

R

R

G

I

V

P

V

N

S

A

C

D

D

K

-

A

-

V

-

F

I

S

E

V

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

A

A

V

I

A

A

N

N

S

A

L

Y

A

C

A

A

V

L

V

E

A

A

G

G

A

A

R

T

Q

H

V

I

E

D

C

T

T

S

I

I

N

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

A

P

L

L

E

G

E

A

I

L

V

L

-

A

-

R

M

M

A

Y

I

V

K

T

T

D

R

R

Q

E

D

Y

L

I

L

T

D

H

V

-

H

-

T

-

R

K

I

Y

E

K

T

L

E

N

H

Q

I

L

L

R

A

E

A

L

S

E

R

N

L

L

V

V

S

A

G

D

I

A

T

V

G

E

F

V

P

Q

V

I

Q

P

P

F

N

N

K

N

A

Y

I

I

V

T

G

G

A

M

N

C

A

A

F

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

H

N

R

P

E

S

T

T

Y

Y

E

E

I

I

M

L

S

K

A

P

Q

E

S

D

V

F

G

G

W

M

N

S

A

R

N

Y

K

V

M

H

V

V

M

G

G

S

K

R

H

L

S

T

G

G

R

W

A

N

A

A

F

I

R

K

S

S

R

R

L

A

D

E

E

Q

L

L

G

N

I

L

L

H

L

L

E

Q

G

A

D

K

E

E

L

L

N

T

A

-

F

-

A

V

R

R

F

I

K

K

E

K

L

L

A

A

active site: Q24 (= Q19)
binding cobalt (ii) ion: E21 (≠ D16), H188 (= H204), H190 (= H206)

3a9iA Crystal structure of homocitrate synthase from thermus thermophilus complexed with lys (see paper)
31% identity, 64% coverage: 9:335/514 of query aligns to 5:312/347 of 3a9iA

query
sites
3a9iA

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

A

A

S

N

M

F

T

S

G

T

E

Q

E

D

K

K

L

V

R

E

I

I

A

A

R

K

A

A

L

L

E

D

R

E

L

F

K

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

A

P

I

V

A

A

S

S

P

P

G

Q

D

S

F

R

A

K

A

D

V

A

K

E

L

V

V

L

A

A

D

S

-

L

N

G

I

L

K

K

D

A

S

K

T

V

V

V

C

T

S

H

L

I

A

Q

R

C

A

R

V

L

D

D

A

A

D

-

I

-

E

-

R

-

A

A

A

K

E

V

A

A

L

V

A

E

G

T

A

G

N

V

S

Q

G

G

R

-

I

I

H
x
D

T

L

F

L

I

F

A

G

T

T

S

S

P

-

I

-

H

-

M

-

Q

K

Y

Y

K

-

L

-

R

-

M

L

Q

D

P

I

D

P

Q

R

V

I

E

E

Q

E

A

A

V

K

R

E

A

V

V

I

K

A

K

Y

A

I

R

R

S

E

L

A

C

A

A

P

D

H

V

V

E

E

-

V

-

R

F

F

S
|
S

C

A

E

E

D

D

A

T

G

F

R

R

S

S

E

E

I

E

D

Q

F

D

L

L

C

L

R

A

I

V

I

Y

E

E

A

A

A

V

I

A

D

P

A

Y

G

V

A

D

R

R

T

-

I

V

N

G

I

L

P

A

D

D

T
|
T

V

V

G

G

Y

V

A

A

I

T

P

P

H

R

Q

Q

Y

V

A

Y

D

A

T

L

I

V

R

R

Q

E

L

V

L

R

E

R

R

V

I

V

-

G

P

P

N

R

A

V

D

D

K

-

A

-

V

-

F

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

V

E

A

A

G

G

A

A

R

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

A

P

L

L

E

G

I

F

V

L

M

A

A

R

I

M

K

Y

T

T

R

L

Q

Q

D

P

L

E

L

Y

D

-

V

V

H

R

T

R

R

K

I

Y

E

K

T

L

E

E

H

M

I

L

L

P

A

E

A

L

S

D

R

R

L

M

V

V

S

A

G

R

I

M

T

V

G

G

F

V

P

E

V

I

Q

P

P

F

N

N

K

N

A

Y

I

I

V

T

G

G

A

E

N

T

A

A

F

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

H

N

R

P

E

E

T

A

Y

Y

E

E

I

P

M

Y

S

P

A

P

Q

E

S

V

V

F

G

G

W

-

N

-

A

-

N

-

K

-

M

-

V

V

M

K

G

G

K

L

H

H

S

Y

G

G

binding cobalt (ii) ion: E12 (≠ D16), H188 (= H204), H190 (= H206)
binding lysine: R11 (= R15), D91 (≠ H99), S128 (= S141), T159 (= T173), H188 (= H204), H190 (= H206)

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
31% identity, 61% coverage: 9:322/514 of query aligns to 6:306/314 of 2zyfA

query
sites
2zyfA

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

A

A

S

N

M

F

T

S

G

T

E

Q

E

D

K

K

L

V

R

E

I

I

A

A

R

K

A

A

L

L

E

D

R

E

L

F

K

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

A

P

I

V

A

A

S

S

P

P

G

Q

D

S

F

R

A

K

A

D

V

A

K

E

L

V

V

L

A

A

D

S

-

L

N

G

I

L

K

K

D

A

S

K

T

V

V

V

C

T

S
x
H

L

I

A

Q

R

C

A

R

V

L

D

D

A

A

D

-

I

-

E

-

R

-

A

A

A

K

E

V

A

A

L

V

A

E

G

T

A

G

N

V

S

Q

G

G

R

-

I

I

H

D

T

L

F
x
L

I

F

A

G

T

T

S

S

P

-

I

-

H

-

M

-

Q

-

Y

-

K

K

L

G

R

R

M

D

Q

I

P

P

D

-

Q

R

V

I

E

E

Q

E

A

A

V

K

R

E

A

V

V

I

K

A

K

Y

A

I

R

R

S

E

L

A

C

A

A

P

D

H

V

V

E

E

-

V

-
x
R

F

F

S

S

C

A

E

E

D

D

A

T

G

F

R

R

S

S

E

E

I

E

D

Q

F

D

L

L

C

L

R

A

I

V

I

Y

E

E

A

A

A

V

I

A

D

P

A

Y

G

V

A

D

R

R

T

-

I

V

N

G

I

L

P

A

D

D

T
|
T

V

V

G

G

Y

V

A

A

I

T

P

P

H

R

Q

Q

Y

V

A

Y

D

A

T

L

I

V

R

R

Q

E

L

V

L

R

E

R

R

V

I

V

-

G

P

P

N

R

A

V

D

D

K

-

A

-

V

-

F

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

V

E

A

A

G

G

A

A

R

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

A

P

L

L

E

G

I

F

V

L

M

A

A

R

I

M

K

Y

T

T

R

L

Q

Q

D

P

L

E

L

Y

D

-

V

V

H

R

T

R

R

K

I

Y

E

K

T

L

E

E

H

M

I

L

L

P

A

E

A

L

S

D

R

R

L

M

V

V

S

A

G

R

I

M

T

V

G

G

F

V

P

E

V

I

Q

P

P

F

N

N

K

N

A

Y

I

I

V

T

G

G

A

E

N

T

A

A

F

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

H

N

R

P

E

E

T

A

Y

Y

E

E

I

P

M

Y

S

P

A

P

Q

E

S

V

V

F

G

G

active site: Q16 (= Q19)
binding 2-oxoglutaric acid: R12 (= R15), H72 (≠ S74), L94 (≠ F101), R127 (vs. gap), T160 (= T173), H189 (= H204)
binding magnesium ion: E13 (≠ D16), H189 (= H204), H191 (= H206)

2ztjA Crystal structure of homocitrate synthase from thermus thermophilus complexed with alpha-ketoglutarate (see paper)
30% identity, 61% coverage: 9:322/514 of query aligns to 6:304/312 of 2ztjA

query
sites
2ztjA

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

A

A

S

N

M

F

T

S

G

T

E

Q

E

D

K

K

L

V

R

E

I

I

A

A

R

K

A

A

L

L

E

D

R

E

L

F

K

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

A

P

I

V

A

A

S

S

P

P

G

Q

D

S

F

R

A

K

A

D

V

A

K

E

L

V

V

L

A

A

D

S

-

L

N

G

I

L

K

K

D

A

S

K

T

V

V

V

C

T

S
x
H

L

I

A

Q

R

C

A

R

V

L

D

D

A

A

D

-

I

-

E

-

R

-

A

A

A

K

E

V

A

A

L

V

A

E

G

T

A

G

N

V

S

Q

G

G

R

-

I

-

H

-

T

-

F

-

I

-

A

-

T

-

S

-

P

-

I

I

H

D

M

L

Q
x
L

Y

F

K

G

L

T

R

G

M

R

Q

D

P

I

D

P

Q

R

V

I

E

E

Q

E

A

A

V

K

R

E

A

V

V

I

K

A

K

Y

A

I

R

R

S

E

L

A

C

A

A

P

D

H

V

V

E

E

-

V

-
x
R

F

F

S

S

C

A

E

E

D

D

A

T

G

F

R

R

S

S

E

E

I

E

D

Q

F

D

L

L

C

L

R

A

I

V

I

Y

E

E

A

A

A

V

I

A

D

P

A

Y

G

V

A

D

R

R

T

-

I

V

N

G

I

L

P
x
A

D

D

T
|
T

V

V

G

G

Y

V

A

A

I

T

P

P

H

R

Q

Q

Y

V

A

Y

D

A

T

L

I

V

R

R

Q

E

L

V

L

R

E

R

R

V

I

V

-

G

P

P

N

R

A

V

D

D

K

-

A

-

V

-

F

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

V

E

A

A

G

G

A

A

R

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

A

P

L

L

E

G

I

F

V

L

M

A

A

R

I

M

K

Y

T

T

R

L

Q

Q

D

P

L

E

L

Y

D

-

V

V

H

R

T

R

R

K

I

Y

E

K

T

L

E

E

H

M

I

L

L

P

A

E

A

L

S

D

R

R

L

M

V

V

S

A

G

R

I

M

T

V

G

G

F

V

P

E

V

I

Q

P

P

F

N

N

K

N

A

Y

I

I

V

T

G

G

A

E

N

T

A

A

F

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

H

N

R

P

E

E

T

A

Y

Y

E

E

I

P

M

Y

S

P

A

P

Q

E

S

V

V

F

G

G

active site: Q16 (= Q19)
binding 2-oxoglutaric acid: R12 (= R15), H72 (≠ S74), L94 (≠ Q110), R125 (vs. gap), A156 (≠ P171), T158 (= T173), H187 (= H204), H189 (= H206)
binding copper (ii) ion: E13 (≠ D16), H187 (= H204), H189 (= H206)

3figB Crystal structure of leucine-bound leua from mycobacterium tuberculosis (see paper)
25% identity, 95% coverage: 14:499/514 of query aligns to 62:573/577 of 3figB

query
sites
3figB

L

L

R

R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

A

D

S

P

M

M

T

S

G

P

E

A

E

R

K

K

L

R

R

R

I

M

A

F

R

D

A

L

L

L

E

V

R

R

L

M

K

G

V

Y

D

K

V

E

I

I

E

E

A

V

G

G

F

F

A

P

I

S

A

A

S

S

P

Q

G

T

D

D

F

F

A

D

A

F

V

V

K

R

L

E

V

I

A

I

D

E

N

Q

-

G

-

A

-

I

I

P

K

D

D

D

S

V

T

T

V

I

C

Q

S

V

L

L

A

T

R

Q

A

C

V

R

D

P

A

E

D

L

I

I

E

E

R

R

A

T

A

F

E

Q

A

A

L

C

A

S

G

G

A

A

N

P

S

R

G

A

R

I

I

V

H

H

T

F

F

Y

I

N

A

S

T

T

S

S

P

I

I

L

H

Q

M

R

Q

R

Y

V

K

V

L

F

R

R

M

A

Q

N

P

R

D

A

Q

E

V

V

V

Q

E

A

Q

I

A

A

V

T

R

D

A

G

V

A

K

R

K

K

A

C

R

V

S

E

L

Q

C

A

A

A

D

K

-

Y

-

P

-

G

-

T

-

Q

-

W

-

R

V

F

E

E

F

Y

S

S

C

P

E

E

D

S

A

Y

G

T

R

G

S

T

E

E

I

L

D

E

F

Y

L

A

C

K

R

Q

I

V

I

C

E

D

A

A

A

V

I

G

D

E

A

V

G

I

A

A

R

P

T

T

-

P

-

E

-

R

-

P

-

I

I

F

N

N

I

L

P

P

D

A

T

T

V

V

G

E

Y

M

A

T

I

T

P

P

H

N

Q

V

Y

Y

A

A

D

D

T

S

I

I

R

E

Q

W

L

M

L

S

E

R

R

N

I

L

P

A

N

N

A

R

D

E

K

S

A

V

V

I

F

L

S

S

V

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

A

A

V

V

A

A

N

A

S

A

L

E

A

L

A

G

V

F

V

A

A

A

G

G

A

A

R

D

Q

R

V

I

E

E

C

G

T

C

I

L

N

F

G

G

L

N

G

G

E

E

R

R

A

T

G

G

N

N

A

V

A

C

L

L

E

V

E

T

I

L

V

G

M

L

A

N

I

L

K

F

T

S

R

R

Q

-

D

-

L

-

D

G

V

V

H

D

T

P

R

Q

I

I

E

D

T

F

E

S

H

N

I

I

L

D

A

E

A

I

S

R

R

R

L

T

V

V

S

E

G

Y

I

C

T

N

G

Q

F

L

P

P

V

V

Q

H

P

E

N

R

K

H

A

P

I

Y

V

G

G

G

A

D

N

L

A

V

F

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

-

G

-

L

-

D

-

A

-

M

-

K

-

L

-

D

-

A

-

D

-

A

-

D

-

C

-

D

-

V

-

D

-

M

-

L

H

W

R

Q

E

V

T

P

Y

Y

E

L

I

P

M

I

S

D

A

P

Q

R

S

D

V

V

G

G

W

-

N

R

A

T

N

Y

K

E

M

A

V

V

M

I

G

R

K

V

H

N

S

K

G

G

R

G

A

V

A

A

F

Y

R

I

S

M

R

K

L

T

D

D

E

H

L

-

G

G

I

L

L

S

L

L

E

P

G

-

D

R

E

R

L

L

N

Q

A

I

A

E

F

F

A

S

R

Q

F

V

K

I

E

Q

L

K

A

V

D

S

K

P

K

K

H

-

E

E

I

M

F

W

D

D

E

-

D

-

L

-

Q

-

A

A

L

F

V

A

S

E

D

E

T

Y

L

L

A

A

D

P

E

V

A

R

P

P

E

L

H

E

F

R

K

I

L

R

A

Q

S

H

L

V

E

D

V

A

A

A

S

D

K

D

T

D

G

G

T

G

I

T

P

T

E

S

A

I

K

T

L

A

V

T

L

V

S

K

V

I

D

N

G

G

A

V

E

E

R

T

S

E

A

I

Q

S

A

G

Q

S

G

G

S

N

G
|
G

P
|
P

V
x
L

D
x
A

A

A

T

F

F

V

K

H

A

A

I

L

E

A

A

D

I

V

A

G

D

F

S

D

G

V

A

A

T

V

L

L

Q

D

L

Y

Y

Y

S

E

V

-

N

H

A

A

I

M

T

S

Q

A

G

G

T
x
D

D

D

S
x
A

Q

Q

G

A

-

A

-

Y

-

V

E

E

V

A

T

S

V

V

R

T

L

I

E

A

K

T

G

-

G

S

R

K

I

T

V

V

N

W

G

G

N

V

G

G

A

I

D

A

T
x
P

D

S

I
|
I

V

T

A

A

S

S

A

L

K

R

A

A

Y

V

L

V

N

S

A

A

L

V

N

N

binding leucine: G501 (= G429), P502 (= P430), L503 (≠ V431), A504 (≠ D432), D531 (≠ T460), A533 (≠ S462), P558 (≠ T484), I560 (= I486)
binding zinc ion: D64 (= D16), H268 (= H204), H270 (= H206)

3hpzB Crystal structure of mycobacterium tuberculosis leua complexed with bromopyruvate
25% identity, 95% coverage: 14:499/514 of query aligns to 62:573/576 of 3hpzB

query
sites
3hpzB

L

L

R

R

D
|
D

G

G

E

N

Q

Q

S

A

P

L

G

I

A

D

S

P

M

M

T

S

G

P

E

A

E

R

K

K

L

R

R

R

I

M

A

F

R

D

A

L

L

L

E

V

R

R

L

M

K

G

V

Y

D

K

V

E

I

I

E

E

A

V

G

G

F

F

A

P

I

S

A

A

S

S

P

Q

G

T

D

D

F

F

A

D

A

F

V

V

K

R

L

E

V

I

A

I

D

E

N

Q

-

G

-

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N

binding Bromopyruvate: E201 (= E143), P235 (= P171), T237 (= T173), H268 (= H204), H270 (= H206)
binding zinc ion: D64 (= D16), H268 (= H204), H270 (= H206)

Query Sequence

>WP_011914312.1 NCBI__GCF_000013785.1:WP_011914312.1
MSSNDRVIIFDTTLRDGEQSPGASMTGEEKLRIARALERLKVDVIEAGFAIASPGDFAAV
KLVADNIKDSTVCSLARAVDADIERAAEALAGANSGRIHTFIATSPIHMQYKLRMQPDQV
VEQAVRAVKKARSLCADVEFSCEDAGRSEIDFLCRIIEAAIDAGARTINIPDTVGYAIPH
QYADTIRQLLERIPNADKAVFSVHCHNDLGLAVANSLAAVVAGARQVECTINGLGERAGN
AALEEIVMAIKTRQDLLDVHTRIETEHILAASRLVSGITGFPVQPNKAIVGANAFAHESG
IHQDGVLKHRETYEIMSAQSVGWNANKMVMGKHSGRAAFRSRLDELGILLEGDELNAAFA
RFKELADKKHEIFDEDLQALVSDTLADEAPEHFKLASLEVASKTGTIPEAKLVLSVDGAE
RSAQAQGSGPVDATFKAIEAIADSGATLQLYSVNAITQGTDSQGEVTVRLEKGGRIVNGN
GADTDIVVASAKAYLNALNLMQVGAKAHPQVEGV

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