SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF2451 Psest_2499 citrate synthase I (hexameric type) 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)

P0ABH7 Citrate synthase; EC 2.3.3.16 from Escherichia coli (strain K12) (see 2 papers)
71% identity, 100% coverage: 1:421/423 of query aligns to 1:421/427 of P0ABH7

query
sites
P0ABH7

M

M

A

A

D

D

K

T

K

K

A

A

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K

L

L

I

T

I

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E

N

G

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A

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P

A

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E

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K

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G

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G

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D

D

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I

I

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I

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S

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T

G

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K

G

G

H

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F

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F

F

D

D

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P

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G

F

F

M

T

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T

A

A

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C

C

E

E

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K

K

I

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Y

F

I

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D

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G

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D

K

E

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H

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Y

F

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P

I

I

E

D

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K

D

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D

N

Y

Y

L

L

E

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C

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Y

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I

L

L

L

L

N

N

G

G

E

E

L

K

P

P

T

T

A

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K

Y

A

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F

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H

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M

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N

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A

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H

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P

M

M

A

A

I

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M

C

C

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G

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G

G

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A

A

A

F

F

Y

Y

H

H

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D

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S

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L

D

D

I

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N

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N

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P

H

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E

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A

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Y

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I

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G

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Y

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P

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R

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N

D

D

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L

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S

Y

Y

S

A

E

G

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N

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F

L

L

H

N

M

M

M

M

F

F

N

S

T

T

P

P

C
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C

E
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E

I

P

K

Y

P

E

I

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N

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I

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L

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E

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R

A

A

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M

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D

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R

I

I

F

L

I

I

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L

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H

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E

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Q

N

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A

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V

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R

L

T

A

A

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G

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S

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G

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A

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N

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P

F

F

A

A

C

C

I

I

A

A

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G

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I

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A

A

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L

W

W

G

G

P

P

A

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

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A

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L

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K

M

M

L

L

D

E

E

E

I

I

G

S

D

S

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V

S
x
K

N

H

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E

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K

E

F

F

L

V

A

R

K

R

A

A

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K

D

D

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K

N

N

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D

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S

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F

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R

L

L

M

M

G

G

F

F

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G

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H

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V

Y

Y

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M

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H

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E

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A

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M

K

E

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L

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A

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L

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D

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Y

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Y

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T

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G

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E

M

M

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D

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M

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K

I

I

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A

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R

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P

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F

C207 (= C207) mutation to S: Weakened NADH binding and inhibition.
E208 (= E208) mutation to A: Weakened NADH binding and inhibition.
K283 (≠ S283) modified: N6-acetyllysine

4jagA Structural determination of the a50t:s279g:s280k:v281k:k282e:h283n variant of citrate synthase from e. Coli complexed with oxaloacetate (see paper)
71% identity, 99% coverage: 2:421/423 of query aligns to 1:420/426 of 4jagA

query
sites
4jagA

A

A

D

D

K

T

K

K

A

A

Q

K

L

L

I

T

I

L

E

D

G

G

A

D

A

T

P

A

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V

E

E

L

L

P

D

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V

L

L

T

K

G

G

T

T

V

L

G

G

P

Q

D

D

V

V

I

I

D

D

V

I

R

R

S

T

L

L

T

G

S

S

T

K

G

G

H

V

F

F

T

T

F

F

D

D

P

P

G

G

F

F

M

T

S

S

T

T

A

T

S

S

C

C

E

E

S

S

K

K

I

I

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T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

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L

L

L

H

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

E

T

K

D

S

S

D

N

Y

Y

L

L

E

E

T

V

C

C

Y

Y

L

I

L

L

L

L

N

N

G

G

E

E

L

K

P

P

T

T

A

Q

E

E

Q

Q

K

Y

A

D

Q

E

F

F

V

K

S

T

T

T

V

V

K

T

N

R

H

H

T

T

M

M

V

I

H

H

E

E

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Q

L

I

K

T

S

R

F

L

L

F

N

H

G

A

F

F

R

R

R

R

D

D

A

S

H

H

P

P

M

M

A

A

I

V

M

M

C

C

G

G

V

I

V

T

G

G

A

A

L

L

S

A

A

A

F

F

Y

Y

H

H

D

D

S

S

L

L

D

D

I

V

N

N

D

N

P

P

H

R

H

H

R

R

E

E

I

I

S

A

A

A

V

F

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R

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L

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L

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K

M

M

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P

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T

I

M

A

A

A

A

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M

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C

Y

Y

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K

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Y

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S

I

I

G

G

Q

Q

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P

L

F

M

V

Y

Y

P

P

R

R

N

N

D

D

L

L

S

S

Y

Y

S

A

E

G

N

N

F

F

L

L

H

N

M

M

M

M

F

F

N

S

T

T

P

P

C

C

E

E

I

P

K

Y

P

E

I

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P

P

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I

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L

A

E

K

R

A

A

M

M

D

D

R

R

I

I

F

L

I

I

L

L

H

H

A

A

D

D

H
|
H

E

E

Q

Q

N
|
N

A

A

S

S

T

T

S

S

T

T

V

V

R

R

L

T

A

A

G

G

S

S

T

S

G

G

A

A

N

N

P

P

F

F

A

A

C

C

I

I

A

A

A

A

G

G

I

I

A

A

A

S

L

L

W

W

G

G

P

P

A

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

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A

L

L

T

K

M

M

L

L

D

E

E

E

I

I

G

G

D

K

V

K

S

E

N

N

V

I

E

P

K

E

F

F

L

V

A

R

K

R

A

A

K

K

D

D

K

K

N

N

D

D

P

S

F

F

K
x
R

L

L

M

M

G

G

F

F

G

G

H
|
H

R
|
R

V
|
V

Y

Y

K

K

N

N

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Y

D

D

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P

R
|
R

A

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V

M

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E

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T

C

C

D

H

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K

D

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L

L

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D

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A

A

M

M

K

E

L

L

E

E

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I

I

A

A

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L

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N

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D

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P

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Y

F

F

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I

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E

R

K

N

K

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Y

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D
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D

F

F

Y

Y

S

S

G

G

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I

I

I

L

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K

A

A

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G

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M

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V

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F

A

A

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A

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R

T

T

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V

G

G

W

W

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I

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A

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H

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W

K

S

E

E

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M

I

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A

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S

D

G

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M

K

K

I

I

G

A

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R

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L

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K

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D

D

L

F

active site: D362 (= D363)
binding oxaloacetate ion: H229 (= H230), N232 (= N233), R299 (≠ K300), H305 (= H306), R306 (= R307), V307 (= V308), R314 (= R315), R387 (= R388)

4jaeA Structural determination of the a50t:s279g:s280k:v281k:k282e:h283n variant of citrate synthase from e. Coli complexed with s- carboxymethyl-coa (see paper)
71% identity, 99% coverage: 2:421/423 of query aligns to 1:420/426 of 4jaeA

query
sites
4jaeA

A

A

D

D

K

T

K

K

A

A

Q

K

L

L

I

T

I

L

E

D

G

G

A

D

A

T

P

A

V

V

E

E

L

L

P

D

V

V

L

L

T

K

G

G

T

T

V

L

G

G

P

Q

D

D

V

V

I

I

D

D

V

I

R

R

S

T

L

L

T

G

S

S

T

K

G

G

H

V

F

F

T

T

F

F

D

D

P

P

G

G

F

F

M

T

S

S

T

T

A

T

S

S

C

C

E

E

S

S

K

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

L

L

H

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

E

T

K

D

S

S

D

N

Y

Y

L

L

E

E

T

V

C

C

Y

Y

L

I

L

L

L

L

N

N

G

G

E

E

L

K

P

P

T

T

A

Q

E

E

Q

Q

K

Y

A

D

Q

E

F

F

V

K

S

T

T
|
T

V

V

K
x
T

N
x
R

H
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H

T
|
T

M
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M

V

I

H

H

E

E

Q

Q

L

I

K

T

S

R

F

L

L

F

N

H

G

A

F

F

R

R

R

R

D

D

A

S

H

H

P

P

M

M

A

A

I

V

M

M

C

C

G

G

V

I

V

T

G

G

A

A

L

L

S

A

A

A

F

F

Y
|
Y

H

H

D

D

S

S

L

L

D

D

I

V

N

N

D

N

P

P

H

R

H

H

R

R

E
|
E

I
|
I

S

A

A

A

V
x
F

R
|
R

L

L

V

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

M

M

V

C

Y

Y

K

K

Y

Y

S

S

I

I

G

G

Q

Q

P

P

L

F

M

V

Y

Y

P

P

R

R

N
|
N

D

D

L

L

S

S

Y

Y

S

A

E

G

N

N

F

F

L

L

H

N

M

M

M

M

F

F

N

S

T

T

P

P

C

C

E

E

I

P

K

Y

P

E

I

V

S

N

P

P

V

I

L

L

A

E

K

R

A

A

M

M

D

D

R

R

I

I

F

L

I

I

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

A

S

S

T

T

S

S

T

T

V

V

R

R

L

T

A

A

G

G

S

S

T

S

G

G

A

A

N

N

P

P

F

F

A

A

C

C

I

I

A

A

A

A

G

G

I

I

A

A

A

S

L

L

W

W

G

G

P

P

A

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

T

K

M

M

L

L

D

E

E

E

I

I

G

G

D

K

V

K

S

E

N

N

V

I

E

P

K

E

F

F

L

V

A

R

K

R

A

A

K

K

D

D

K

K

N

N

D

D

P

S

F

F

K

R

L

L

M

M

G

G

F

F

G

G

H

H

R

R

V

V

Y

Y

K

K

N

N

F

Y

D

D

P

P

R

R

A

A

K

T

V

V

M

M

K

R

Q

E

T

T

C

C

D

H

E

E

V

V

L

L

G

K

E

E

L

L

G

G

I

T

N

K

D

D

P

D

Q

L

L

L

D

E

L

V

A

A

M

M

K

E

L

L

E

E

E

N

I

I

A

A

L

L

N

N

D

D

P

P

Y

Y

F

F

A

I

E

E

R

K

N

K

L

L

Y

Y

P

P

N

N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

I

I

F

F

A

A

L

M

A

A

R

R

T

T

V

V

G

G

W

W

I

I

S

A

H

H

W

W

K

S

E

E

M

M

I

H

A

S

S

D

G

G

Q

M

K

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

H

Y

T

E

K

K

R

R

D

D

L

F

active site: D362 (= D363)
binding carboxymethyl coenzyme *a: T106 (= T107), T108 (≠ K109), R109 (≠ N110), H110 (= H111), T111 (= T112), M112 (= M113), Y145 (= Y146), E158 (= E159), I159 (= I160), F162 (≠ V163), R163 (= R164), K167 (= K168), N189 (= N190)

1owbA Three dimensional structure analysis of the variant r109l nadh complex of type ii citrate synthase from e. Coli (see paper)
71% identity, 99% coverage: 2:421/423 of query aligns to 1:420/426 of 1owbA

query
sites
1owbA

A

A

D

D

K

T

K

K

A

A

Q

K

L

L

I

T

I

L

E

N

G

G

A

D

A

T

P

A

V

V

E

E

L

L

P

D

V

V

L

L

T

K

G

G

T

T

V

L

G

G

P

Q

D

D

V

V

I

I

D

D

V

I

R

R

S

T

L

L

T

G

S

S

T

K

G

G

H

V

F

F

T

T

F

F

D

D

P

P

G

G

F

F

M

T

S

S

T

T

A

A

S

S

C

C

E

E

S

S

K

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

L

L

H

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

E

T

K

D

S

S

D

N

Y

Y

L

L

E

E

T

V

C

C

Y

Y

L

I

L

L

L

L

N

N

G

G

E

E

L

K

P

P

T

T

A

Q

E

E

Q

Q

K

Y

A

D

Q

E

F

F

V

K

S

T

T
|
T

V

V

K
x
T

N
x
L

H
|
H

T
|
T

M
|
M

V
x
I

H
|
H

E

E

Q

Q

L

I

K

T

S

R

F

L

L

F

N

H

G

A

F

F

R

R

R

R

D

D

A

S

H

H

P

P

M

M

A

A

I

V

M

M

C

C

G

G

V

I

V

T

G

G

A

A

L

L

S

A

A

A

F

F

Y
|
Y

H

H

D

D

S

S

L

L

D

D

I

V

N

N

D

N

P

P

H

R

H

H

R

R

E

E

I
|
I

S

A

A

A

V
x
F

R
|
R

L

L

V

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

M

M

V

C

Y

Y

K

K

Y

Y

S

S

I

I

G

G

Q

Q

P

P

L

F

M

V

Y

Y

P

P

R

R

N
|
N

D

D

L

L

S

S

Y

Y

S

A

E

G

N

N

F

F

L

L

H

N

M

M

M

M

F

F

N

S

T

T

P

P

C

C

E

E

I

P

K

Y

P

E

I

V

S

N

P

P

V

I

L

L

A

E

K

R

A

A

M

M

D

D

R

R

I

I

F

L

I

I

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

A

S

S

T

T

S

S

T

T

V

V

R

R

L

T

A

A

G

G

S

S

T

S

G

G

A

A

N

N

P

P

F

F

A

A

C

C

I

I

A

A

A

A

G

G

I

I

A

A

A

S

L

L

W

W

G

G

P

P

A

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

T

K

M

M

L

L

D

E

E

E

I

I

G

S

D

S

V

V

S

K

N

H

V

I

E

P

K

E

F

F

L

F

A

R

K

R

A

A

K

K

D

D

K

K

N

N

D

D

P

S

F

F

K

R

L

L

M

M

G

G

F

F

G

G

H

H

R

R

V

V

Y

Y

K

K

N

N

F

Y

D

D

P

P

R

R

A

A

K

T

V

V

M

M

K

R

Q

E

T

T

C

C

D

H

E

E

V

V

L

L

G

K

E

E

L

L

G

G

I

T

N

K

D

D

P

D

Q

L

L

L

D

E

L

V

A

A

M

M

K

E

L

L

E

E

E

N

I

I

A

A

L

L

N

N

D

D

P

P

Y

Y

F

F

A

I

E

E

R

K

N

K

L

L

Y

Y

P

P

N

N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

I

I

F

F

A

A

L

M

A

A

R

R

T

T

V

V

G

G

W

W

I

I

S

A

H

H

W

W

K

S

E

E

M

M

I

H

A

S

S

D

G

G

Q

M

K

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

H

Y

T

E

K

K

R

R

D

D

L

F

active site: D362 (= D363)
binding nicotinamide-adenine-dinucleotide: T106 (= T107), T108 (≠ K109), L109 (≠ N110), H110 (= H111), T111 (= T112), M112 (= M113), I113 (≠ V114), H114 (= H115), Y145 (= Y146), I159 (= I160), F162 (≠ V163), R163 (= R164), K167 (= K168), N189 (= N190)

1nxgA The f383a variant of type ii citrate synthase complexed with nadh (see paper)
71% identity, 99% coverage: 2:421/423 of query aligns to 1:420/426 of 1nxgA

query
sites
1nxgA

A

A

D

D

K

T

K

K

A

A

Q

K

L

L

I

T

I

L

E

N

G

G

A

D

A

T

P

A

V

V

E

E

L

L

P

D

V

V

L

L

T

K

G

G

T

T

V

L

G

G

P

Q

D

D

V

V

I

I

D

D

V

I

R

R

S

T

L

L

T

G

S

S

T

K

G

G

H

V

F

F

T

T

F

F

D

D

P

P

G

G

F

F

M

T

S

S

T

T

A

A

S

S

C

C

E

E

S

S

K

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

L

L

H

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

E

T

K

D

S

S

D

N

Y

Y

L

L

E

E

T

V

C

C

Y

Y

L

I

L

L

L

L

N

N

G

G

E

E

L

K

P

P

T

T

A

Q

E

E

Q

Q

K

Y

A

D

Q

E

F

F

V

K

S

T

T
|
T

V

V

K
x
T

N
x
R

H
|
H

T
|
T

M
|
M

V
x
I

H
|
H

E

E

Q

Q

L

I

K

T

S

R

F

L

L

F

N

H

G

A

F

F

R

R

R

R

D

D

A

S

H

H

P

P

M

M

A

A

I

V

M

M

C

C

G

G

V

I

V

T

G

G

A

A

L

L

S

A

A

A

F

F

Y
|
Y

H

H

D

D

S

S

L

L

D

D

I

V

N

N

D

N

P

P

H

R

H

H

R

R

E

E

I
|
I

S

A

A

A

V
x
F

R
|
R

L

L

V

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

M

M

V

C

Y

Y

K

K

Y

Y

S

S

I

I

G

G

Q

Q

P

P

L

F

M

V

Y

Y

P

P

R

R

N
|
N

D

D

L

L

S

S

Y

Y

S

A

E

G

N

N

F

F

L

L

H

N

M

M

M

M

F

F

N

S

T

T

P

P

C

C

E

E

I

P

K

Y

P

E

I

V

S

N

P

P

V

I

L

L

A

E

K

R

A

A

M

M

D

D

R

R

I

I

F

L

I

I

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

A

S

S

T

T

S

S

T

T

V

V

R

R

L

T

A

A

G

G

S

S

T

S

G

G

A

A

N

N

P

P

F

F

A

A

C

C

I

I

A

A

A

A

G

G

I

I

A

A

A

S

L

L

W

W

G

G

P

P

A

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

T

K

M

M

L

L

D

E

E

E

I

I

G

S

D

S

V

V

S

K

N

H

V

I

E

P

K

E

F

F

L

F

A

R

K

R

A

A

K

K

D

D

K

K

N

N

D

D

P

S

F

F

K

R

L

L

M

M

G

G

F

F

G

G

H

H

R

R

V

V

Y

Y

K

K

N

N

F

Y

D

D

P

P

R

R

A

A

K

T

V

V

M

M

K

R

Q

E

T

T

C

C

D

H

E

E

V

V

L

L

G

K

E

E

L

L

G

G

I

T

N

K

D

D

P

D

Q

L

L

L

D

E

L

V

A

A

M

M

K

E

L

L

E

E

E

N

I

I

A

A

L

L

N

N

D

D

P

P

Y

Y

F

F

A

I

E

E

R

K

N

K

L

L

Y

Y

P

P

N

N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

I

I

F

A

A

A

L

M

A

A

R

R

T

T

V

V

G

G

W

W

I

I

S

A

H

H

W

W

K

S

E

E

M

M

I

H

A

S

S

D

G

G

Q

M

K

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

H

Y

T

E

K

K

R

R

D

D

L

F

active site: D362 (= D363)
binding 1,4-dihydronicotinamide adenine dinucleotide: T106 (= T107), T108 (≠ K109), R109 (≠ N110), H110 (= H111), T111 (= T112), M112 (= M113), I113 (≠ V114), H114 (= H115), Y145 (= Y146), I159 (= I160), F162 (≠ V163), R163 (= R164), K167 (= K168), N189 (= N190)

2h12B Structure of acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme a (cmx) (see paper)
68% identity, 98% coverage: 6:420/423 of query aligns to 3:419/426 of 2h12B

query
sites
2h12B

A

A

Q

T

L

I

I

S

I

V

E

D

G

G

A

K

A

S

P

-

V

A

E

E

L

M

P

P

V

V

L

L

T

S

G

G

T

T

V

L

G

G

P

P

D

D

V

V

I

I

D

D

V

I

R

R

S

K

L

L

T

P

S

A

T

Q

-

L

G

G

H

V

F

F

T

T

F

F

D

D

P

P

G

G

F

Y

M

G

S

E

T

T

A

A

S

A

C

C

E

N

S

S

K

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

K

G

G

I

V

L

L

L

L

H

H

R

R

G

G

Y

Y

P

P

I

I

E

A

Q

Q

L

L

A

A

E

E

K

N

S

A

D

S

Y

Y

L

E

E

E

T

V

C

I

Y

Y

L

L

L

L

L

L

N

N

G

G

E

E

L

L

P

P

T

N

A

K

E

A

Q

Q

K

Y

A

D

Q

T

F

F

V

T

S

N

T

T

V

L

K

T

N

N

H

H

T

T

M

L

V

L

H

H

E

E

Q

Q

L

I

K

R

S

N

F

F

L

F

N

N

G

G

F

F

R

R

R

R

D

D

A

A

H

H

P

P

M

M

A

A

I

I

M

L

C

C

G

G

V

T

V

V

G

G

A

A

L

L

S

S

A

A

F

F

Y

Y

H

P

D

D

S

A

L

N

D

D

I

I

N

A

D

I

P

P

H

A

H

N

R

R

E

D

I

L

S

A

A

A

V

M

R

R

L

L

V

I

A

A

K

K

M

I

P

P

T

T

I

I

A

A

A

A

M

W

V

A

Y

Y

K

K

Y

Y

S

T

I

Q

G

G

Q

E

P

A

L

F

M

I

Y

Y

P

P

R

R

N

N

D

D

L

L

S

N

Y

Y

S

A

E

E

N

N

F

F

L

L

H

S

M

M

M

M

F

F

N

A

T

R

P

M

C

S

E

E

I

P

K

Y

P

K

I

V

S

N

P

P

V

V

L

L

A

A

K

R

A

A

M

M

D

N

R

R

I

I

F

L

I

I

L

L

H

H

A

A

D

D

H
|
H

E

E

Q

Q

N
|
N

A

A

S
|
S

T

T

S

S

T

T

V

V

R

R

L

L

A

A

G

G

S

S

T

T

G

G

A

A

N

N

P

P

F

F

A

A

C

C

I

I

A

A

A

A

G

G

I

I

A

A

A

A

L

L

W

W

G

G

P
|
P

A
|
A

H
|
H

G
|
G

G

G

A
|
A

N

N

E

E

A

A

V

V

L

L

T

K

M

M

L

L

D

A

E

R

I

I

G

G

D

K

V

K

S

E

N

N

V

I

E

P

K

A

F

F

L

I

A

A

K

Q

A
x
V

K

K

D

D

K

K

N

N

D

S

P

G

F

V

K
|
K

L
|
L

M
|
M

G
|
G

F
|
F

G
|
G

H
|
H

R
|
R

V

V

Y

Y

K

K

N

N

F

F

D

D

P

P

R
|
R

A

A

K

K

V

I

M

M

K

Q

Q

Q

T

T

C

C

D

H

E

E

V

V

L

L

G

T

E

E

L

L

G

G

I

I

-

K

N

D

D

D

P

P

Q

L

L

L

D

D

L

L

A

A

M

V

K

E

L

L

E

E

E

K

I

I

A

A

L

L

N

S

D

D

P

D

Y
|
Y

F

F

A

V

E

Q

R
|
R

N

K

L
|
L

Y

Y

P

P

N
|
N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

T

S

S

M

M

F

F

T

T

V

V

I

L

F
|
F

A

A

L

V

A

A

R
|
R

T

T

V

T

G

G

W

W

I

V

S

S

H

Q

W

W

K

K

E

E

M

M

I

I

A

E

S

E

-

P

G

G

Q

Q

K
x
R

I
|
I

G

S

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

I

G

G

H

A

T

P

K

Q

R

R

D

D

active site: S232 (= S235), H262 (= H265), H303 (= H306), R312 (= R315), D361 (= D363)
binding carboxymethyldethia coenzyme *a: P260 (= P263), A261 (= A264), H262 (= H265), G263 (= G266), A265 (= A268), V289 (≠ A292), K297 (= K300), L298 (= L301), M299 (= M302), G300 (= G303), F301 (= F304), G302 (= G305), H303 (= H306), R304 (= R307), Y350 (= Y352), R354 (= R356), L356 (= L358), N359 (= N361), D361 (= D363), F382 (= F384), R404 (≠ K405), I405 (= I406)
binding oxaloacetate ion: H227 (= H230), N230 (= N233), H262 (= H265), H303 (= H306), R312 (= R315), F382 (= F384), R386 (= R388)

P9WPD5 Citrate synthase 1; EC 2.3.3.16 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
57% identity, 96% coverage: 16:420/423 of query aligns to 17:424/431 of P9WPD5

query
sites
P9WPD5

V

I

E

D

L

L

P

Q

V

I

L

V

T

H

G

A

T

T

V

E

G

G

P

A

D

D

V

G

I

I

D

A

V

L

R

G

S

P

L

L

T

L

S

A

-

K

T

T

G

G

H

H

F

T

T

T

F

F

D

D

P

V

G

G

F

F

M

A

S

N

T

T

A

A

S

A

C

A

E

K

S

S

K

S

I

I

T

T

Y

Y

I

I

D

D

G

G

D

D

K

A

G

G

I

I

L

L

L

R

H

Y

R

R

G

G

Y

Y

P

P

I

I

E

D

Q

Q

L

L

A

A

E

E

K

K

S

S

D

T

Y

F

L

I

E

E

T

V

C

C

Y

Y

L

L

L

L

L

I

N

Y

G

G

E

E

L

L

P

P

T

D

A

T

E

D

Q

Q

K

L

A

A

Q

Q

F

F

V

T

S

G

T

R

V

I

K

Q

N

R

H

H

T

T

M

M

V

L

H

H

E

E

Q

D

L

L

K

K

S

R

F

F

L

F

N

D

G

G

F

F

R

P

R

R

D

N

A

A

H

H

P

P

M

M

A

P

I

V

M

L

C

S

G

S

V

V

V

V

G

N

A

A

L

L

S

S

A

A

F

Y

Y

Y

H

Q

D

D

S

A

L

L

D

D

I

P

N

M

D

D

P

N

H

G

H

Q

R

V

E

E

I

L

S

S

A

T

V

I

R

R

L

L

V

L

A

A

K

K

M

L

P

P

T

T

I

I

A

A

A

A

M

Y

V

A

Y

Y

K

K

Y

K

S

S

I

V

G

G

Q

Q

P

P

L

F

M

L

Y

Y

P

P

R

D

N

N

D

S

L

L

S

T

Y

L

S

V

E

E

N

N

F

F

L

L

H

R

M

L

M

T

F

F

N

G

T

F

P

P

C

A

E

E

I

P

K

Y

P

Q

I

A

S

D

P

P

V

E

L

V

A

V

K

R

A

A

M

L

D

D

R

M

I

L

F

F

I

I

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

C

S

S

T

T

S

S

T

T

V

V

R

R

L

L

A

V

G

G

S

S

T

S

G

R

A

A

N

N

P

L

F

F

A

T

C

S

I

I

A

S

A

G

G

G

I

I

A

N

A

A

L

L

W

W

G

G

P

P

A

L

H

H

G

G

G

G

A

A

N

N

E

Q

A

A

V

V

L

L

T

E

M

M

L

L

D

E

E

G

I

I

G

R

D

D

V

S

S

G

-

D

N

D

V

V

E

S

K

E

F

F

L

V

A

R

K

K

A

V

K

K

D

N

K

R

N

E

D

A

P

G

F

V

K

K

L

L

M

M

G

G

F

F

G

G

H

H

R

R

V

V

Y

Y

K

K

N

N

F

Y

D

D

P

P

R

R

A

A

K

R

V

I

M

V

K

K

Q

E

T

Q

C

A

D

D

E
x
K

V

I

L

L

G

A

E

K

L

L

G

G

I

G

N

D

D

D

P

S

Q

L

L

L

D

G

L

I

A

A

M

K

K

E

L

L

E

E

E

E

I

A

A

A

L

L

N

T

D

D

P

D

Y

Y

F

F

A

I

E

E

R

R

N

K

L

L

Y

Y

P

P

N

N

V

V

D

D

F

F

Y

Y

S

T

G

G

I

L

I

I

L

Y

K

R

A

A

I

L

G

G

I

F

P

P

T

T

S

R

M

M

F

F

T

T

V

V

I

L

F

F

A

A

L

L

A

G

R

R

T

L

V

P

G

G

W

W

I

I

S

A

H

H

W

W

K

R

E

E

M

M

I

H

A

D

S

E

G

G

-

D

Q

S

K

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

I

Y

Y

T

T

G

G

H

Y

T

T

K

E

R

R

D

D

K328 (≠ E325) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

3msuB Crystal structure of citrate synthase from francisella tularensis
58% identity, 96% coverage: 16:421/423 of query aligns to 23:426/426 of 3msuB

query
sites
3msuB

V

I

E

E

L

L

P

P

V

V

L

Y

T

S

G

P

T

S

V

L

G

G

P

N

D

D

V

C

I

I

D

D

V

V

R

S

S

S

L

L

T

V

S

K

T

H

G

G

H

I

F

F

T

T

F

Y

D

D

P

P

G

G

F

F

M

M

S

S

T

T

A

A

S

A

C

C

E

E

S

S

K

K

I

I

T

T

Y

Y

I

I

D

D

G

G

D

G

K

K

G

G

I

V

L

L

L

L

H

H

R

R

G

G

Y

Y

P

P

I

I

E

E

Q

E

L

W

A

T

E

Q

K

K

S

S

D

N

Y
|
Y

L
x
R

E

T

T

L

C
|
C

Y

Y

L

A

L

L

L

I

N

Y

G

G

E

E

L

L

P

P

T

T

A

D

E

E

Q

Q

K

V

A

K

Q

S

F

F

V
x
R

S

Q

T

E

V

I

K

I

N

N

H

K

T

M

M

P

V

V

H

C

E

E

Q

H

L

V

K

K

S

A

F

A

L

I

N

A

G

A

F

M

R

P

R

Q

D

H

A

T

H

H

P

P

M

M

A

S

I

S

M

L

C

I

G

A

V

G

V

V

G

N

A

V

L

L

S

A

A

A

F

-

Y

-

H

-

D

E

S

H

L

I

D

H

I

N

N

G

D

Q

P

K

H

E

H

S

R

Q

E

D

I

E

S

V

A

A

V

K

R

N

L

I

V

V

A

A

K

K

M

I

P

A

T

T

I

I

A

A

A

A

M

M

V

A

Y

Y

K

R

Y

H

S

N

I

H

G

G

Q

K

P

K

L

F

M

L

Y

E

P

P

R

K

N

M

D

E

L

Y

S
x
G

Y
|
Y

S

A

E

E

N

N

F

F

L

L

H

Y

M

M

M

M

F

F

N

A

T

D

P

D

C

E

E

S

I

Y

K

K

P

P

I

-

S

D

P

E

V

L

L

H

A

I

K

K

A

A

M

M

D

D

R

T

I

I

F

F

I

M

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

A

S
|
S

T

T

S

S

T

T

V

V

R

R

L

L

A

S

G

G

S

S

T

T

G

G

A

N

N

S

P

P

F

Y

A

A

C

A

I

I

A

I

A

A

G

G

I

I

A

T

A

A

L

L

W

W

G

G

P

P

A

A

H
|
H

G

G

G

G

A

A

N

N

E

E

A

A

V

V

L

L

T

K

M

M

L

L

D

S

E

E

I

I

G

G

D

S

V

T

S

E

N

N

V

I

E

D

K

K

F

Y

L

I

A

A

K

K

A

A

K

K

D

D

K

K

N

D

D

D

P

P

F

F

K

R

L

L

M

M

G

G

F

F

G

G

H
|
H

R

R

V

V

Y

Y

K

K

N

N

F

T

D

D

P

P

R
|
R

A

A

K

T

V

A

M

M

K

K

Q

K

T

N

C

C

D

E

E

E

V

I

L

L

G

A

E

K

L

L

G

G

I

H

N

S

D

D

-

N

P

P

Q

L

L

L

D

T

L

V

A

A

M

K

K

K

L

L

E

E

E

E

I

I

A

A

L

L

N

Q

D

D

P

E

Y

F

F

F

A

I

E

E

R

R

N

K

L

L

Y

F

P

S

N

N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

E

S

D

M

M

F

F

T

T

V

A

I

I

F

F

A

A

L

L

A

A

R

R

T

T

V

S

G

G

W

W

I

I

S

S

H

Q

W

W

K

I

E

E

M

M

I

V

A

N

S

D

-

P

G

A

Q

Q

K

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

H

A

T

T

K

N

R

R

D

N

L

F

active site: S238 (= S235), H268 (= H265), H309 (= H306), R318 (= R315), D367 (= D363)
binding oxaloacetate ion: Y90 (= Y83), R91 (≠ L84), C94 (= C87), R112 (≠ V105), G197 (≠ S193), Y198 (= Y194)

3msuA Crystal structure of citrate synthase from francisella tularensis
57% identity, 96% coverage: 16:421/423 of query aligns to 23:415/415 of 3msuA

query
sites
3msuA

V

I

E

E

L

L

P

P

V

V

L

Y

T

S

G

P

T

S

V

L

G

G

P

N

D

D

V

C

I

I

D

D

V

V

R

S

S

S

L

L

T

V

S

K

T

H

G

G

H

I

F

F

T

T

F

Y

D

D

P

P

G

G

F

F

M

M

S

S

T

T

A

A

S

A

C

C

E

E

S

S

K

K

I

I

T

T

Y

Y

I

I

D

D

G

G

D

G

K

K

G

G

I

V

L

L

L

L

H

H

R

R

G

G

Y

Y

P

P

I

I

E

E

Q

E

L

W

A

T

E

Q

K

K

S

S

D
x
N

Y
|
Y

L
x
R

E

T

T

L

C

C

Y

Y

L

A

L

L

L

I

N

Y

G

G

E

E

L

L

P

P

T

T

A

D

E

E

Q

Q

K

V

A

K

Q

S

F

F

V
x
R

S

Q

T

E

V
x
I

K

I

N

N

H

K

T

M

M

P

V

V

H
x
C

E

E

Q
x
H

L

V

K

K

S

A

F

A

L

I

N

A

G

A

F

M

R

P

R

Q

D

H

A

T

H

H

P

P

M

M

A

S

I

S

M

L

C

I

G

A

V

G

V

V

G

N

A

V

L

L

S

A

A

A

F

-

Y

-

H

-

D

E

S

H

L

I

D

H

I

N

N

G

D

Q

P

K

H

E

H

S

R

Q

E

D

I

E

S

V

A

A

V

K

R

N

L

I

V

V

A

A

K

K

M

I

P

A

T

T

I

I

A

A

A

A

M

M

V

A

Y

Y

K

R

Y

H

S

N

I

H

G

G

Q

K

P

K

L

F

M

L

Y

E

P

P

R

K

N

M

D

E

L

Y

S

G

Y
|
Y

S

A

E

E

N

N

F

F

L

L

H

Y

M

M

M

M

F

F

N

A

T

D

P

D

C

E

E

S

I

Y

K

K

P

P

I

-

S

D

P

E

V

L

L

H

A

I

K

K

A

A

M

M

D
|
D

R

T

I

I

F

F

I

M

L

L

H

H

A

A

D

D

H

H

E

E

Q

Q

N

N

A

A

S
|
S

T

T

S

S

T

T

V

V

R

R

L

L

A

S

G

G

S

S

T

T

G

G

A

N

N

S

P

P

F

Y

A

A

C

A

I

I

A

I

A

A

G

G

I

I

A

T

A

A

L

L

W

W

G

G

P

P

A

A

H
|
H

G

G

G

G

A

A

N

N

E

E

A

A

V

V

L

L

T

K

M

M

L

L

D

S

E

E

I

I

G

G

D

S

V

T

S

E

N

N

V

I

E

D

K

K

F

Y

L

I

A

A

K

K

A

A

K

K

D

D

K

-

N

-

D

-

P

-

F

-

K

K

L

L

M

M

G

G

F

F

G

G

H
|
H

R

R

V

V

Y

Y

K

K

N

N

F

T

D

D

P

P

R
|
R

A

A

K

T

V

A

M

M

K

K

Q

K

T

N

C

C

D

E

E

E

V

I

L

L

G

A

E

K

L

L

G

G

I

H

N

S

D

D

-

N

P

P

Q

L

L

L

D

T

L

V

A

A

M

K

K

K

L

L

E

E

E

E

I

I

A

A

L

L

N

-

D

-

P

-

Y

-

F

-

A

-

E

E

R

R

N

K

L

L

Y

F

P

S

N

N

V

V

D
|
D

F

F

Y

Y

S

S

G

G

I

I

I

I

L

L

K

K

A

A

I

M

G

G

I

I

P

P

T

E

S

D

M

M

F

F

T

T

V

A

I

I

F

F

A

A

L

L

A

A

R

R

T

T

V

S

G

G

W

W

I

I

S

S

H

Q

W

W

K

I

E

E

M

M

I

V

A

N

S

D

-

P

G

A

Q

Q

K

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

H

A

T

T

K

N

R

R

D

N

L

F

active site: S238 (= S235), H268 (= H265), H304 (= H306), R313 (= R315), D356 (= D363)
binding oxaloacetate ion: N89 (≠ D82), Y90 (= Y83), R91 (≠ L84), R112 (≠ V105), I115 (≠ V108), Y198 (= Y194), D224 (= D221)
binding zinc ion: C122 (≠ H115), H124 (≠ Q117)

4tvmA Structure of citrate synthase from mycobacterium tuberculosis (see paper)
51% identity, 96% coverage: 16:420/423 of query aligns to 11:376/380 of 4tvmA

query
sites
4tvmA

V

I

E

D

L

L

P

Q

V

I

L

V

T

H

G

A

T

T

V

E

G

G

P

A

D

D

V

G

I

I

D

A

V

L

R

G

S

P

L

L

T

L

S

A

-

K

T

T

G

G

H

H

F

T

T

T

F

F

D

D

P

V

G

G

F

F

M

A

S

N

T

T

A

A

S

A

C

A

E

K

S

S

K

S

I

I

T

T

Y

Y

I

I

D

D

G

G

D

D

K

A

G

G

I

I

L

L

L

R

H

Y

R

R

G

G

Y

Y

P

P

I

I

E

D

Q

Q

L

L

A

A

E

E

K

K

S

S

D

T

Y

F

L

I

E

E

T

V

C

C

Y

Y

L

L

L

L

L

I

N

Y

G

G

E

E

L

L

P

P

T

D

A

T

E

D

Q

Q

K

L

A

A

Q

Q

F

F

V

T

S

G

T

R

V

I

K

Q

N

R

H

H

T

T

M

M

V

L

H

H

E

E

Q

D

L

L

K

K

S

R

F

F

L

F

N

D

G

G

F

F

R

P

R

R

D

N

A

A

H

H

P

P

M

M

A

P

I

V

M

L

C

S

G

S

V

V

V

V

G

N

A

A

L

L

S

S

A

A

F

Y

Y

Y

H

Q

D

D

S

A

L

L

D

D

I

P

N

M

D

D

P

N

H

G

H

Q

R

V

E

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I

L

S

S

A

T

V

I

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R

L

L

V

L

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A

K

K

M

L

P

P

T

T

I

I

A

A

A

A

M

Y

V

A

Y

Y

K

K

Y

K

S

S

I

V

G

G

Q

Q

P

P

L

F

M

L

Y

Y

P

P

R

D

N

N

D

S

L

L

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T

Y

L

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V

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E

N

N

F

F

L

L

H

R

M

L

M

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F

F

N

G

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P

C

A

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K

Y

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D

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V

A

V

K

R

A

A

M

L

D

D

R

M

I

L

F

F

I

I

L

L

H
|
H

A

A

D

D

H
|
H

E

E

Q

Q

N
|
N

A

C

S
|
S

T

T

S

S

T

T

V

V

R

R

L

L

A

V

G

G

S

S

T

S

G

R

A

A

N

N

P

L

F

F

A

T

C

S

I

I

A

S

A

G

G

G

I

I

A

N

A

A

L

L

W

W

G

G

P

P

A

L

H
|
H

G

G

G

G

A

A

N

N

E

Q

A

A

V

V

L

L

T

E

M

M

L

L

D

E

E

G

I

I

G

R

D

D

V

S

S

-

N

-

V

-

E

-

K

-

F

-

L

-

A

-

K

-

A

-

K

-

D

-

K

-

N

-

D

-

P

-

F

-

K

-

L

-

M

-

G

-

F

-

G

G

H

D

R

D

V

V

Y

S

K

E

N

N

F

Y

D

D

P

P

R
|
R

A

A

K

R

V

I

M

V

K

K

Q

E

T

Q

C

A

D

D

E

K

V

I

L

L

G

G

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-

L

-

G

-

I

-

N

D

D

D

P

S

Q

L

L

L

D

G

L

I

A

A

M

K

K

E

L

L

E

E

E

E

I

A

A

-

L

-

N

-

D

-

P

-

Y

-

F

-

A

-

E

-

R

-

N

-

L

-

Y

-

P

-

N

-

V

V

D
|
D

F

F

Y

Y

S

T

G

G

I

L

I

I

L

Y

K

R

A

A

I

L

G

G

I

F

P

P

T

T

S

R

M

M

F

F

T

T

V

V

I

L

F
|
F

A

A

L

L

A

G

R
|
R

T

L

V

P

G

G

W

W

I

I

S

A

H

H

W

W

K

R

E

E

M

M

I

H

A

D

S

E

G

G

-

D

Q

S

K

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

I

Y

Y

T

T

G

G

H

Y

T

T

K

E

R

R

D

D

active site: S231 (= S235), H261 (= H265), R289 (= R315), D318 (= D363)
binding oxaloacetate ion: H223 (= H227), H226 (= H230), N229 (= N233), H261 (= H265), R289 (= R315), F339 (= F384), R343 (= R388)

6abwA Crystal structure of citrate synthase (msed_0281) from metallosphaera sedula in complex with acetyl-coa (see paper)
38% identity, 89% coverage: 47:421/423 of query aligns to 4:363/369 of 6abwA

query
sites
6abwA

F

F

M

I

S

K

T

T

A

T

S

S

C

-

E

-

S

-

K

-

I

L

T

T

Y

Y

I

I

D

D

G

G

D

E

K

N

G

G

I

I

L

L

L

R

H

Y

R

G

G

G

Y

Y

P

D

I

I

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Q

D

L

L

A

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K

H

S

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D

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Y

F

L

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V

C

V

Y

H

L

L

L

M

L

L

N

Y

G

G

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D

L

L

P

P

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T

A

K

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L

Q

Q

K

L

A

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Q

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F

L

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S

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A

V

L

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D

N

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A

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Y

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V

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Q

Q

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K

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F

M

L

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N

Y

G

S

F

L

R

P

R

R

D

D

A

S

H

D

P

A

M

V

A

G

I

M

M

M

C

E

G

T

V

A

V

F

G

S

A

A

L

L

S

S

A

S

F

I

Y

Y

H

-

D

-

S

G

L

M

D

P

I

W

N

N

D

K

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A

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T

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N

R

R

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D

I

-

S

N

A

A

V

V

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K

L

L

V

V

A

A

K

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M

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P

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T

T

I

V

A

V

A

A

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N

V

V

Y

L

K

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Y

A

S

K

I

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G

G

Q

K

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K

L

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M

A

Y

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P

P

R

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N

P

D

S

L

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S

S

Y

F

S

A

E

K

N

S

F

F

L

L

H

K

M

A

M

S

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F

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S

-

R

T

T

P

P

C

T

E

E

I

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K

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P

-

I

-

S

-

P

-

V

-

L

-

A

V

K

K

A

A

M

M

D

D

R

A

I

A

F

L

I

I

L

L

H

Y

A

A

D

D

H

H

E

E

Q

V

N

P

A

A

S
|
S

T

T

S

T

T

A

V

A

R

L

L

V

A

T

G

S

S

S

T

T

G

L

A

S

N

D

P

I

F

Y

A

S

C

C

I

V

A

V

A

A

G

A

I

L

A

A

A

A

L

L

W

K

G

G

P
|
P

A
x
L

H
|
H

G
|
G

G
|
G

A
|
A

N

A

E

E

A

E

V

A

L

F

T

K

M

Q

L

F

D

V

E

E

I

I

G

G

D

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V

P

S

D

N

M

V

T

E

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K

S

F

W

L

F

A

-

K

K

A

R

K

K

D

I

K

I

N

E

D

G

P

K

F

S

K
x
R

L
|
L

M
|
M

G
|
G

F
|
F

G
|
G

H
|
H

R
|
R

V

V

Y

Y

K

K

N

T

F

Y

D

D

P

P

R
|
R

A

A

K

K

V

I

M

F

K

K

Q

K

T

Y

C

A

D

K

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V

V

I

L

S

G

E

E

R

L

N

G

S

I

D

N

A

D

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P

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Q

Y

L

F

D

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L

I

A

A

M

Q

K

K

L

L

E

E

E

E

I

L

A

G

L

V

N

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D

T

P

-

Y

-

F
|
F

A

G

E

A

R
x
K

N

H

L
x
I

Y

Y

P

P

N

N

V

T

D
|
D

F

F

Y

Y

S

S

G

G

I

V

I

V

L

F

K

Y

A

A

I

L

G

G

I

F

P

P

T

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S

Y

M

M

F

F

T

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V

S

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L

F

F

A

A

L

L

A

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R

R

T

T

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L

G

G

W

W

I

T

S

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H

H

W

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K

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Y

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Q

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L

Y

Y

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G

G