SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_029132263.1 NCBI__GCF_000428045.1:WP_029132263.1 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)

2h12B Structure of acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme a (cmx) (see paper)
62% identity, 99% coverage: 7:431/431 of query aligns to 2:426/426 of 2h12B

query
sites
2h12B

T

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active site: S232 (= S237), H262 (= H267), H303 (= H308), R312 (= R317), D361 (= D366)
binding carboxymethyldethia coenzyme *a: A261 (≠ S266), H262 (= H267), A265 (= A270), K297 (≠ R302), L298 (= L303), G300 (= G305), F301 (= F306), G302 (= G307), H303 (= H308), R304 (= R309), Y350 (= Y355), R354 (= R359), L356 (= L361), N359 (= N364), D361 (= D366)
binding oxaloacetate ion: H227 (= H232), N230 (= N235), H303 (= H308), R312 (= R317), R386 (= R391)

P0ABH7 Citrate synthase; EC 2.3.3.16 from Escherichia coli (strain K12) (see 2 papers)
61% identity, 100% coverage: 1:431/431 of query aligns to 1:427/427 of P0ABH7

query
sites
P0ABH7

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C207 (= C209) mutation to S: Weakened NADH binding and inhibition.
E208 (= E210) mutation to A: Weakened NADH binding and inhibition.
K283 (≠ S285) 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)
61% identity, 100% coverage: 2:431/431 of query aligns to 1:426/426 of 4jagA

query
sites
4jagA

S

A

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G

G

W

W

V

I

A

A

H

H

W

W

M

S

E

E

M

M

M

H

D

S

D

D

P

G

E

-

F

M

R

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

Y

P

E

K

K

R

R

D

D

Y

F

V

K

P

S

V

D

S

I

K

K

R

R

active site: D362 (= D366)
binding oxaloacetate ion: H229 (= H232), N232 (= N235), R306 (= R309), R387 (= R391)

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)
61% identity, 100% coverage: 2:431/431 of query aligns to 1:426/426 of 4jaeA

query
sites
4jaeA

S

A

D

D

K

T

K

K

V

A

T

K

L

L

T

T

N

-

K

-

V

L

D

D

G

G

-

D

T

T

S

A

V

V

D

E

L

L

P

D

V

V

Y

L

K

K

G

G

T

T

E

L

G

G

P

Q

E

D

V

V

A

I

D

D

I

I

S

R

T

T

L

L

Y

-

K

G

H

S

T

K

G

G

M

V

F

F

T

T

Y

F

D

D

P

P

G

G

F

F

V

T

A

S

T

T

A

T

S

S

C

C

R

E

S

S

A

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

R

L

Y

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

K

T

E

D

A

S

S

N

F

Y

L

L

E

E

V

V

A

C

Y

Y

L

I

L

L

M

L

Y

N

G

G

D

E

L

K

P

P

S

T

A

Q

E

E

E

Q

M

Y

A

D

K

E

F

F

D

K

N

T

T
|
T

I

V

R
x
T

H
x
R

H
|
H

T
|
T

M
|
M

I

I

K

H

E

E

T

Q

L

I

K

T

N

R

F

L

F

F

D

H

G

A

F

F

Q

R

Y

R

D

D

A

S

H

H

P

P

M

M

G

A

I

V

M

M

V

C

G

G

V

I

V

T

G

G

S

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

N

N

P

P

R

R

H

H

R

R

E
|
E

I
|
I

S

A

A

A

H

F

R
|
R

L

L

I

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

A

M

S

C

Y

Y

K

K

H

Y

N

S

V

I

G

G

E

Q

P

P

F

F

I

V

Y

Y

P

P

R

R

N
|
N

D

D

L

L

D

S

Y

Y

C

A

E

G

N

N

F

F

L

L

R

N

M

M

M

M

F

F

S

S

N

T

P

P

C

C

E

E

E

P

Y

Y

S

E

P

V

D

N

P

P

V

I

A

L

V

E

K

R

A

A

I

M

N

D

T

R

L

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

S

A

G

G

S

S

S

S

Q

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

S

S

L

L

W

W

G

G

P

P

S

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

D

K

M

M

L

L

N

E

E

E

I

I

G

G

D

K

V

K

S

E

Q

N

I

I

D

P

K

E

Y

F

I

V

A

R

K

R

A

A

K

K

D

D

K

K

D

N

D

D

P

S

F

F

R

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

T

T

L

V

I

M

R

R

E

E

V

T

C

C

H

H

E

E

V

V

L

L

E

K

N

E

M

L

K

G

D

T

N

K

D

D

N

D

P

-

L

L

F

L

E

E

L

V

A

A

L

M

R

E

L

L

E

E

Q

N

V

I

A

A

L

L

E

N

D

D

E

P

Y

Y

F

F

V

I

E

E

R

K

K

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

Y

L

Q

K

A

A

L

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

M

I

F

F

A

A

V

M

A

A

R

R

T

T

V

V

G

G

W

W

V

I

A

A

H

H

W

W

M

S

E

E

M

M

M

H

D

S

D

D

P

G

E

-

F

M

R

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

Y

P

E

K

K

R

R

D

D

Y

F

V

K

P

S

V

D

S

I

K

K

R

R

active site: D362 (= D366)
binding carboxymethyl coenzyme *a: T106 (= T109), T108 (≠ R111), R109 (≠ H112), H110 (= H113), T111 (= T114), M112 (= M115), E158 (= E161), I159 (= I162), R163 (= R166), K167 (= K170), N189 (= N192)

1owbA Three dimensional structure analysis of the variant r109l nadh complex of type ii citrate synthase from e. Coli (see paper)
61% identity, 100% coverage: 2:431/431 of query aligns to 1:426/426 of 1owbA

query
sites
1owbA

S

A

D

D

K

T

K

K

V

A

T

K

L

L

T

T

N

L

K

N

V

G

D

D

G

-

T

T

S

A

V

V

D

E

L

L

P

D

V

V

Y

L

K

K

G

G

T

T

E

L

G

G

P

Q

E

D

V

V

A

I

D

D

I

I

S

R

T

T

L

L

Y

-

K

G

H

S

T

K

G

G

M

V

F

F

T

T

Y

F

D

D

P

P

G

G

F

F

V

T

A

S

T

T

A

A

S

S

C

C

R

E

S

S

A

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

R

L

Y

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

K

T

E

D

A

S

S

N

F

Y

L

L

E

E

V

V

A

C

Y

Y

L

I

L

L

M

L

Y

N

G

G

D

E

L

K

P

P

S

T

A

Q

E

E

E

Q

M

Y

A

D

K

E

F

F

D

K

N

T

T

T

I

V

R
x
T

H
x
L

H
|
H

T
|
T

M
|
M

I

I

K
x
H

E

E

T

Q

L

I

K

T

N

R

F

L

F

F

D

H

G

A

F

F

Q

R

Y

R

D

D

A

S

H

H

P

P

M

M

G

A

I

V

M

M

V

C

G

G

V

I

V

T

G

G

S

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

N

N

P

P

R

R

H

H

R

R

E

E

I
|
I

S

A

A

A

H
x
F

R
|
R

L

L

I

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

A

M

S

C

Y

Y

K

K

H

Y

N

S

V

I

G

G

E

Q

P

P

F

F

I

V

Y

Y

P

P

R

R

N
|
N

D

D

L

L

D

S

Y

Y

C

A

E

G

N

N

F

F

L

L

R

N

M

M

M

M

F

F

S

S

N

T

P

P

C

C

E

E

E

P

Y

Y

S

E

P

V

D

N

P

P

V

I

A

L

V

E

K

R

A

A

I

M

N

D

T

R

L

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

S

A

G

G

S

S

S

S

Q

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

S

S

L

L

W

W

G

G

P

P

S

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

D

K

M

M

L

L

N

E

E

E

I

I

G

S

D

S

V

V

S

K

Q

H

I

I

D

P

K

E

Y

F

I

F

A

R

K

R

A

A

K

K

D

D

K

K

D

N

D

D

P

S

F

F

R

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

T

T

L

V

I

M

R

R

E

E

V

T

C

C

H

H

E

E

V

V

L

L

E

K

N

E

M

L

K

G

D

T

N

K

D

D

N

D

P

-

L

L

F

L

E

E

L

V

A

A

L

M

R

E

L

L

E

E

Q

N

V

I

A

A

L

L

E

N

D

D

E

P

Y

Y

F

F

V

I

E

E

R

K

K

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

Y

L

Q

K

A

A

L

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

M

I

F

F

A

A

V

M

A

A

R

R

T

T

V

V

G

G

W

W

V

I

A

A

H

H

W

W

M

S

E

E

M

M

M

H

D

S

D

D

P

G

E

-

F

M

R

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

Y

P

E

K

K

R

R

D

D

Y

F

V

K

P

S

V

D

S

I

K

K

R

R

active site: D362 (= D366)
binding nicotinamide-adenine-dinucleotide: T108 (≠ R111), L109 (≠ H112), H110 (= H113), T111 (= T114), M112 (= M115), H114 (≠ K117), Y145 (= Y148), I159 (= I162), F162 (≠ H165), R163 (= R166), K167 (= K170), N189 (= N192)

1nxgA The f383a variant of type ii citrate synthase complexed with nadh (see paper)
61% identity, 100% coverage: 2:431/431 of query aligns to 1:426/426 of 1nxgA

query
sites
1nxgA

S

A

D

D

K

T

K

K

V

A

T

K

L

L

T

T

N

L

K

N

V

G

D

D

G

-

T

T

S

A

V

V

D

E

L

L

P

D

V

V

Y

L

K

K

G

G

T

T

E

L

G

G

P

Q

E

D

V

V

A

I

D

D

I

I

S

R

T

T

L

L

Y

-

K

G

H

S

T

K

G

G

M

V

F

F

T

T

Y

F

D

D

P

P

G

G

F

F

V

T

A

S

T

T

A

A

S

S

C

C

R

E

S

S

A

K

I

I

T

T

Y

F

I

I

D

D

G

G

D

D

K

E

G

G

I

I

L

L

R

L

Y

H

R

R

G

G

Y

F

P

P

I

I

E

D

Q

Q

L

L

A

A

K

T

E

D

A

S

S

N

F

Y

L

L

E

E

V

V

A

C

Y

Y

L

I

L

L

M

L

Y

N

G

G

D

E

L

K

P

P

S

T

A

Q

E

E

E

Q

M

Y

A

D

K

E

F

F

D

K

N

T

T
|
T

I

V

R

T

H
x
R

H
|
H

T
|
T

M
|
M

I
|
I

K
x
H

E

E

T

Q

L

I

K

T

N

R

F

L

F

F

D

H

G

A

F

F

Q

R

Y

R

D

D

A

S

H

H

P

P

M

M

G

A

I

V

M

M

V

C

G

G

V

I

V

T

G

G

S

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

N

N

P

P

R

R

H

H

R

R

E

E

I

I

S

A

A

A

H
x
F

R
|
R

L

L

I

L

A

S

K
|
K

M

M

P

P

T

T

I

M

A

A

A

A

A

M

S

C

Y

Y

K

K

H

Y

N

S

V

I

G

G

E

Q

P

P

F

F

I

V

Y

Y

P

P

R

R

N

N

D

D

L

L

D

S

Y

Y

C

A

E

G

N

N

F

F

L

L

R

N

M

M

M

M

F

F

S

S

N

T

P

P

C

C

E

E

E

P

Y

Y

S

E

P

V

D

N

P

P

V

I

A

L

V

E

K

R

A

A

I

M

N

D

T

R

L

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

S

A

G

G

S

S

S

S

Q

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

S

S

L

L

W

W

G

G

P

P

S

A

H

H

G

G

G

G

A

A

N

N

E

E

A

A

V

A

L

L

D

K

M

M

L

L

N

E

E

E

I

I

G

S

D

S

V

V

S

K

Q

H

I

I

D

P

K

E

Y

F

I

F

A

R

K

R

A

A

K

K

D

D

K

K

D

N

D

D

P

S

F

F

R

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

T

T

L

V

I

M

R

R

E

E

V

T

C

C

H

H

E

E

V

V

L

L

E

K

N

E

M

L

K

G

D

T

N

K

D

D

N

D

P

-

L

L

F

L

E

E

L

V

A

A

L

M

R

E

L

L

E

E

Q

N

V

I

A

A

L

L

E

N

D

D

E

P

Y

Y

F

F

V

I

E

E

R

K

K

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

Y

L

Q

K

A

A

L

M

G

G

I

I

P

P

T

S

S

S

M

M

F

F

T

T

V

V

M

I

F

A

A

A

V

M

A

A

R

R

T

T

V

V

G

G

W

W

V

I

A

A

H

H

W

W

M

S

E

E

M

M

M

H

D

S

D

D

P

G

E

-

F

M

R

K

I

I

G

A

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

Y

P

E

K

K

R

R

D

D

Y

F

V

K

P

S

V

D

S

I

K

K

R

R

active site: D362 (= D366)
binding 1,4-dihydronicotinamide adenine dinucleotide: T106 (= T109), R109 (≠ H112), H110 (= H113), T111 (= T114), M112 (= M115), I113 (= I116), H114 (≠ K117), Y145 (= Y148), F162 (≠ H165), R163 (= R166), K167 (= K170)

P9WPD5 Citrate synthase 1; EC 2.3.3.16 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
53% identity, 100% coverage: 1:431/431 of query aligns to 1:431/431 of P9WPD5

query
sites
P9WPD5

M

M

S

A

D

D

K

T

K

D

V

D

T

T

L

A

T

T

N

L

K

R

V

Y

D

P

G

G

T

G

S

E

V

I

D

D

L

L

P

Q

V

I

Y

V

K

H

G

A

T

T

E

E

G

G

P

A

E

D

V

G

A

I

D

A

I

L

S

G

T

P

L

L

Y

L

K

A

H

K

T

T

G

G

M

H

F

T

T

T

Y

F

D

D

P

V

G

G

F

F

V

A

A

N

T

T

A

A

S

A

C

A

R

K

S

S

A

S

I

I

T

T

Y

Y

I

I

D

D

G

G

D

D

K

A

G

G

I

I

L

L

R

R

Y

Y

R

R

G

G

Y

Y

P

P

I

I

E

D

Q

Q

L

L

A

A

K

E

E

K

A

S

S

T

F

F

L

I

E

E

V

V

A

C

Y

Y

L

L

L

L

M

I

Y

Y

G

G

D

E

L

L

P

P

S

D

A

T

E

D

E

Q

M

L

A

A

K

Q

F

F

D

T

N

G

T

R

I

I

R

Q

H

R

H

H

T

T

M

M

I

L

K

H

E

E

T

D

L

L

K

K

N

R

F

F

F

F

D

D

G

G

F

F

Q

P

Y

R

D

N

A

A

H

H

P

P

M

M

G

P

I

V

M

L

V

S

G

S

V

V

V

V

G

N

S

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

N

D

P

N

R

G

H

Q

R

V

E

E

I

L

S

S

A

T

H

I

R

R

L

L

I

L

A

A

K

K

M

L

P

P

T

T

I

I

A

A

A

A

A

Y

S

A

Y

Y

K

K

H

K

N

S

V

V

G

G

E

Q

P

P

F

F

I

L

Y

Y

P

P

R

D

N

N

D

S

L

L

D

T

Y

L

C

V

E

E

N

N

F

F

L

L

R

R

M

L

M

T

F

F

S

G

N

F

P

P

C

A

E

E

E

P

Y

Y

S

Q

P

A

D

D

P

P

V

E

A

V

V

V

K

R

A

A

I

L

N

D

T

M

L

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

S

V

G

G

S

S

S

S

Q

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

S

A

L

L

W

W

G

G

P

P

S

L

H

H

G

G

G

G

A

A

N

N

E

Q

A

A

V

V

L

L

D

E

M

M

L

L

N

E

E

G

I

I

G

R

D

D

V

S

S

G

-

D

Q

D

I

V

D

S

K

E

Y

F

I

V

A

R

K

K

A

V

K

K

D

N

K

R

D

E

D

A

P

G

F

V

R

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

T

R

L

I

I

V

R

K

E

E

V

Q

C

A

H

D

E
x
K

V

I

L

L

E

A

N

K

M

L

K

G

D

G

N

D

D

D

N

S

P

-

L

L

F

L

E

G

L

I

A

A

L

K

R

E

L

L

E

E

Q

E

V

A

A

A

L

L

E

T

D

D

E

D

Y

Y

F

F

V

I

E

E

R

R

K

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

Y

Y

Q

R

A

A

L

L

G

G

I

F

P

P

T

T

S

R

M

M

F

F

T

T

V

V

M

L

F

F

A

A

V

L

A

G

R

R

T

L

V

P

G

G

W

W

V

I

A

A

H

H

W

W

M

R

E

E

M

M

M

H

D

D

D

E

P

G

E

D

F

S

R

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

I

Y

Y

T

T

G

G

A

Y

P

T

K

E

R

R

D

D

Y

Y

V

V

P

T

V

I

S

D

K

A

R

R

K328 (≠ E327) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

3msuB Crystal structure of citrate synthase from francisella tularensis
52% identity, 99% coverage: 1:425/431 of query aligns to 7:426/426 of 3msuB

query
sites
3msuB

M

L

S

M

D

S

K

K

K

Y

V

A

T

T

L

L

T

K

N

Y

K

A

V

D

D

K

G

N

T

I

S

E

V

I

D

E

L

L

P

P

V

V

Y

Y

K

S

G

P

T

S

E

L

G

G

P

N

E

D

V

C

A

I

D

D

I

V

S

S

T

S

L

L

Y

V

K

K

H

H

T

-

G

G

M

I

F

F

T

T

Y

Y

D

D

P

P

G

G

F

F

V

M

A

S

T

T

A

A

S

A

C

C

R

E

S

S

A

K

I

I

T

T

Y

Y

I

I

D

D

G

G

D

G

K

K

G

G

I

V

L

L

R

L

Y

H

R

R

G

G

Y

Y

P

P

I

I

E

E

Q

E

L

W

A

T

K

Q

E

K

A

S

S

N

F
x
Y

L
x
R

E

T

V

L

A
x
C

Y

Y

L

A

L

L

M

I

Y

Y

G

G

D

E

L

L

P

P

S

T

A

D

E

E

E

Q

M

V

A

K

K

S

F

F

D
x
R

N

Q

T

E

I

I

R

I

H

N

H

K

T

M

M

P

I

V

K

C

E

E

T

H

L

V

K

K

N

A

F

A

F

I

D

A

G

A

F

M

Q

P

Y

Q

D

H

A

T

H

H

P

P

M

M

G

S

I

S

M

L

V

I

G

A

V

G

V

V

G

N

S

V

L

L

S

A

A

A

F

-

Y

-

H

-

D

E

S

H

L

I

D

H

I

N

N

G

N

Q

P

K

R

E

H

S

R

Q

E

D

I

E

S

V

A

A

H

K

R

N

L

I

I

V

A

A

K

K

M

I

P

A

T

T

I

I

A

A

A

A

A

M

S

A

Y

Y

K

R

H

H

N

N

V

H

G

G

E

K

P

K

F

F

I

L

Y

E

P

P

R

K

N

M

D

E

L

Y

D

G

Y
|
Y

C

A

E

E

N

N

F

F

L

L

R

Y

M

M

M

M

F

F

S

A

N

D

P

D

C

-

E

E

E

S

Y

Y

S

K

P

P

D

D

P

E

V

L

A

H

V

I

K

K

A

A

I

M

N

D

T

T

L

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

S

S

G

G

S

S

S

T

Q

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

S

A

L

L

W

W

G

G

P

P

S

A

H
|
H

G

G

G

G

A

A

N

N

E

E

A

A

V

V

L

L

D

K

M

M

L

L

N

S

E

E

I

I

G

G

D

S

V

T

S

E

Q

N

I

I

D

D

K

K

Y

Y

I

I

A

A

K

K

A

A

K

K

D

D

K

K

D

D

D

D

P

P

F

F

R

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

T

T

L

A

I

M

R

K

E

K

V

N

C

C

H

E

E

E

V

I

L

L

E

A

N

K

M

L

K

G

D

H

N

S

D

D

N

N

P

P

L

L

F

L

E

T

L

V

A

A

L

K

R

K

L

L

E

E

Q

E

V

I

A

A

L

L

E

Q

D

D

E

E

Y

F

F

F

V

I

E

E

R

R

K

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

Y

L

Q

K

A

A

L

M

G

G

I

I

P

P

T

E

S

D

M

M

F

F

T

T

V

A

M

I

F

F

A

A

V

L

A

A

R

R

T

T

V

S

G

G

W

W

V

I

A

S

H

Q

W

W

M

I

E

E

M

M

M

V

D

N

D

D

P

P

E

A

F

Q

R

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

A

P

T

K

N

R

R

D

N

Y

F

active site: S238 (= S237), H268 (= H267), H309 (= H308), R318 (= R317), D367 (= D366)
binding oxaloacetate ion: Y90 (≠ F85), R91 (≠ L86), C94 (≠ A89), R112 (≠ D107), Y198 (= Y196)

3msuA Crystal structure of citrate synthase from francisella tularensis
50% identity, 99% coverage: 1:425/431 of query aligns to 7:415/415 of 3msuA

query
sites
3msuA

M

L

S

M

D

S

K

K

K

Y

V

A

T

T

L

L

T

K

N

Y

K

A

V

D

D

K

G

N

T

I

S

E

V

I

D

E

L

L

P

P

V

V

Y

Y

K

S

G

P

T

S

E

L

G

G

P

N

E

D

V

C

A

I

D

D

I

V

S

S

T

S

L

L

Y

V

K

K

H

H

T

-

G

G

M

I

F

F

T

T

Y

Y

D

D

P

P

G

G

F

F

V

M

A

S

T

T

A

A

S

A

C

C

R

E

S

S

A

K

I

I

T

T

Y

Y

I

I

D

D

G

G

D

G

K

K

G

G

I

V

L

L

R

L

Y

H

R

R

G

G

Y

Y

P

P

I

I

E

E

Q

E

L

W

A

T

K

Q

E

K

A

S

S

N

F
x
Y

L
x
R

E

T

V

L

A

C

Y

Y

L

A

L

L

M

I

Y

Y

G

G

D

E

L

L

P

P

S

T

A

D

E

E

E

Q

M

V

A

K

K

S

F

F

D
x
R

N

Q

T

E

I

I

R

I

H

N

H

K

T

M

M

P

I

V

K
x
C

E

E

T
x
H

L

V

K

K

N

A

F

A

F

I

D

A

G

A

F

M

Q

P

Y

Q

D

H

A

T

H

H

P

P

M

M

G

S

I

S

M

L

V

I

G

A

V

G

V

V

G

N

S

V

L

L

S

A

A

A

F

-

Y

-

H

-

D

E

S

H

L

I

D

H

I

N

N

G

N

Q

P

K

R

E

H

S

R

Q

E

D

I

E

S

V

A

A

H

K

R

N

L

I

I

V

A

A

K

K

M

I

P

A

T

T

I

I

A

A

A

A

A

M

S

A

Y

Y

K

R

H

H

N

N

V

H

G

G

E

K

P

K

F

F

I

L

Y

E

P

P

R

K

N

M

D

E

L

Y

D

G

Y
|
Y

C

A

E

E

N

N

F

F

L

L

R

Y

M

M

M

M

F

F

S

A

N

D

P

D

C

-

E

E

E

S

Y

Y

S

K

P

P

D

D

P

E

V

L

A

H

V

I

K

K

A

A

I

M

N
x
D

T

T

L

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

S

S

G

G

S

S

S

T

Q

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

S

A

L

L

W

W

G

G

P

P

S

A

H
|
H

G

G

G

G

A

A

N

N

E

E

A

A

V

V

L

L

D

K

M

M

L

L

N

S

E

E

I

I

G

G

D

S

V

T

S

E

Q

N

I

I

D

D

K

K

Y

Y

I

I

A

A

K

K

A

A

K

K

D

D

K

K

D

-

D

-

P

-

F

-

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

T

T

L

A

I

M

R

K

E

K

V

N

C

C

H

E

E

E

V

I

L

L

E

A

N

K

M

L

K

G

D

H

N

S

D

D

N

N

P

P

L

L

F

L

E

T

L

V

A

A

L

K

R

K

L

L

E

E

Q

E

V

I

A

A

L

L

E

-

D

-

E

-

Y

-

F

-

V

-

E

E

R

R

K

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

Y

L

Q

K

A

A

L

M

G

G

I

I

P

P

T

E

S

D

M

M

F

F

T

T

V

A

M

I

F

F

A

A

V

L

A

A

R

R

T

T

V

S

G

G

W

W

V

I

A

S

H

Q

W

W

M

I

E

E

M

M

M

V

D

N

D

D

P

P

E

A

F

Q

R

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

L

Y

Y

T

T

G

G

A

A

P

T

K

N

R

R

D

N

Y

F

active site: S238 (= S237), H268 (= H267), H304 (= H308), R313 (= R317), D356 (= D366)
binding oxaloacetate ion: Y90 (≠ F85), R91 (≠ L86), R112 (≠ D107), Y198 (= Y196), D224 (≠ N223)
binding zinc ion: C122 (≠ K117), H124 (≠ T119)

4tvmA Structure of citrate synthase from mycobacterium tuberculosis (see paper)
49% identity, 98% coverage: 7:428/431 of query aligns to 1:380/380 of 4tvmA

query
sites
4tvmA

T

T

L

A

T

T

N

L

K

R

V

Y

D

P

G

G

T

G

S

E

V

I

D

D

L

L

P

Q

V

I

Y

V

K

H

G

A

T

T

E

E

G

G

P

A

E

D

V

G

A

I

D

A

I

L

S

G

T

P

L

L

Y

L

K

A

H

K

T

T

G

G

M

H

F

T

T

T

Y

F

D

D

P

V

G

G

F

F

V

A

A

N

T

T

A

A

S

A

C

A

R

K

S

S

A

S

I

I

T

T

Y

Y

I

I

D

D

G

G

D

D

K

A

G

G

I

I

L

L

R

R

Y

Y

R

R

G

G

Y

Y

P

P

I

I

E

D

Q

Q

L

L

A

A

K

E

E

K

A

S

S

T

F

F

L

I

E

E

V

V

A

C

Y

Y

L

L

L

L

M

I

Y

Y

G

G

D

E

L

L

P

P

S

D

A

T

E

D

E

Q

M

L

A

A

K

Q

F

F

D

T

N

G

T

R

I

I

R

Q

H

R

H

H

T

T

M

M

I

L

K

H

E

E

T

D

L

L

K

K

N

R

F

F

F

F

D

D

G

G

F

F

Q

P

Y

R

D

N

A

A

H

H

P

P

M

M

G

P

I

V

M

L

V

S

G

S

V

V

V

V

G

N

S

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

N

D

P

N

R

G

H

Q

R

V

E

E

I

L

S

S

A

T

H

I

R

R

L

L

I

L

A

A

K

K

M

L

P

P

T

T

I

I

A

A

A

A

A

Y

S

A

Y

Y

K

K

H

K

N

S

V

V

G

G

E

Q

P

P

F

F

I

L

Y

Y

P

P

R

D

N

N

D

S

L

L

D

T

Y

L

C

V

E

E

N

N

F

F

L

L

R

R

M

L

M

T

F

F

S

G

N

F

P

P

C

A

E

E

E

P

Y

Y

S

Q

P

A

D

D

P

P

V

E

A

V

V

V

K

R

A

A

I

L

N

D

T

M

L

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

S

V

G

G

S

S

S

S

Q

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

S

A

L

L

W

W

G

G

P

P

S

L

H
|
H

G

G

G

G

A

A

N

N

E

Q

A

A

V

V

L

L

D

E

M

M

L

L

N

E

E

G

I

I

G

R

D

D

V

S

S

-

Q

-

I

-

D

-

K

-

Y

-

I

-

A

-

K

-

A

-

K

-

D

-

K

-

D

-

D

-

P

-

F

-

R

-

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

T

R

L

I

I

V

R

K

E

E

V

Q

C

A

H

D

E

K

V

I

L

L

E

-

N

-

M

-

K

-

D

-

N

G

D

D

N

D

P

S

L

L

F

L

E

G

L

I

A

A

L

K

R

E

L

L

E

E

Q

E

V

A

A

-

L

-

E

-

D

-

E

-

Y

-

F

-

V

-

E

-

R

-

K

-

L

-

Y

-

P

-

N

-

V

V

D
|
D

F

F

Y

Y

S

T

G

G

I

L

I

I

Y

Y

Q

R

A

A

L

L

G

G

I

F

P

P

T

T

S

R

M

M

F

F

T

T

V

V

M

L

F
|
F

A

A

V

L

A

G

R
|
R

T

L

V

P

G

G

W

W

V

I

A

A

H

H

W

W

M

R

E

E

M

M

M

H

D

D

D

E

P

G

E

D

F

S

R

K

I

I

G

G

R

R

P

P

R

R

Q

Q

L

I

Y

Y

T

T

G

G

A

Y

P

T

K

E

R

R

D

D

Y

Y

V

V

P

T

V

I

active site: S231 (= S237), H261 (= H267), R289 (= R317), D318 (= D366)
binding oxaloacetate ion: H226 (= H232), N229 (= N235), F339 (= F387), R343 (= R391)

8bp7E Citrate-bound hexamer of synechococcus elongatus citrate synthase (see paper)
40% identity, 90% coverage: 45:431/431 of query aligns to 5:377/379 of 8bp7E

query
sites
8bp7E

Y

F

D

R

P

P

G

G

F

L

V

E

A

G

T

V

A

P

S

A

C

T

R

L

S

S

A

S

I

I

T

S

Y

F

I

V

D

D

G

G

D

Q

K

R

G

G

I

V

L

L

R

E

Y

Y

R

R

G

G

Y

I

P

S

I

I

E

E

Q

Q

L

L

A

A

K

Q

E

Q

A

S

S

S

F

F

L

L

E

E

V

T

A

A

Y

Y

L

L

L

L

M

I

Y

W

G

G

D

H

L
|
L

P
|
P

S

T

A

Q

E

Q

E

E

M

L

A

T

K

E

F

F

D

E

N

H

T

E

I

I

R

R

H

Y

H

H

T

R

M

R

I

I

K

K

E

F

T

R

L

I

K

R

N

D

F

M

F

M

D

K

G

C

F

F

Q

P

Y

D

D

S

A

G

H

H

P

P

M

M

G

D

I

A

M

L

V

Q

G

A

V

S

V

A

G

A

S

A

L

L

S

G

A

L

F

F

Y

Y

H

-

D

S

S

R

L

R

D

A

I

L

N

D

N

D

P

P

R

E

H

Y

R

I

E

R

I

A

S

A

A

V

H

V

R

R

L

L

I

L

A

A

K

K

M

I

P

P

T

T

I

M

A

V

A

A

A

A

S

F

Y

Q

K

L

H

I

N

R

V

K

G

G

E

N

P

D

F

P

I

I

Y

Q

P

P

R

R

N

D

D

E

L

L

D

D

Y

Y

C

A

E

A

N

N

F

F

L

L

R

Y

M

M

M

L

F

-

S

-

N

-

P

-

C

-

E

T

E

E

Y

R

S

E

P

P

D

D

P

P

V

V

A

A

V

A

K

R

A

I

I

F

N

D

T

I

L

C

F

L

I

T

L

L

H

H

A

A

D

E

H

H

E

T

Q

I

N

N

A

A

S

S

T

T

S

F

T

S

V

A

R

M

L

V

S

T

G

A

S

S

S

T

Q

L

A

T

N

D

P

P

F

Y

A

A

C

V

I

V

A

A

A

S

G

A

I

V

A

G

S

T

L

L

W

A

G

G

P

P

S

L

H

H

G

G

G

G

A

A

N

N

E

E

A

E

V

V

L

L

D

D

M

M

L

L

N

E

E

A

I

I

G

G

D

S

V

V

S

E

Q

N

I

V

D

E

K

P

Y

Y

I

L

A

D

K

H

A

C

K

I

D

A

K

T

D

K

D

T

P

-

F

-

R

R

L

I

M

M

G

G

F

F

G

G

H

H

R

R

V

V

Y

Y

K

K

N

V

F

K

D

D

P

P

R

R

A

A

T

V

L

I

I

L

R

Q

E

N

V

L

C

A

H

E

E

Q

V

L

L

F

E

D

N

I

M

F

K

-

D

-

N

G

D

H

N

D

P

P

L

Y

F

Y

E

E

L

I

A

A

L

V

R

A

L

V

E

E

Q

K

V

A

A

A

L

A

E

E

D

R

E

-

Y

-

F

L

V

S

E

H

R

K

K

G

L

I

Y

Y

P

P

N

N

V

V

D

D

F

F

Y

Y

S

S

G

G

I