SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_053974641.1 NCBI__GCF_001280865.1:WP_053974641.1 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)

P19414 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
59% identity, 98% coverage: 12:751/755 of query aligns to 41:773/778 of P19414

query
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P19414

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R604 (= R582) mutation to K: Strongly diminishes the catalytic activity towards both known substrates, aconitate and homoaconitate.

Sites not aligning to the query:

1:16 modified: transit peptide, Mitochondrion

P16276 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Sus scrofa (Pig) (see 3 papers)
58% identity, 98% coverage: 12:752/755 of query aligns to 45:777/781 of P16276

query
sites
P16276

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T

T

T

D

D

H

H

I

I

S

S

M

A

A

A

G

G

P

P

W

W

L

L

R

K

F

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

A

S

N

N

N

N

T

L

L

L

I

I

G

G

A

A

V

I

N

N

A

I

F

E

N

N

K

R

K

K

T

A

N

N

F

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

D

G

A

P

V

V

P

P

A

D

V

T

Q

A

R

R

E

Y

Y

Y

K

K

K

Q

E

H

G

G

I

I

K

R

T

W

I

V

V

V

V

I

G

G

D

D

H

E

N

N

Y

Y

G

G

E

E

G

G

S

S

S
|
S

R
|
R

E

E

H

H

A

R

A

A

M

L

Q

E

P

P

R

R

H

H

L

L

G

G

V

G

A

R

A

A

V

I

I

I

V

T

K

K

S

S

F

F

A

A

R

R

I

I

H

H

E

E

T

T

N

N

L

L

K

K

K

K

Q

Q

G

G

M

L

L

L

G

P

L

L

T

T

F

F

A

A

N

D

E

P

A

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

D

V

D

D

T

K

F

L

N

T

F

I

T

Q

D

G

L

L

N

K

E

D

F

F

A

A

P

P

D

G

K

K

Q

P

L

L

T

K

L

C

E

I

I

I

V

K

H

H

K

P

D

N

G

G

S

T

S

Q

D

E

T

T

I

I

K

L

L

L

N

N

H

H

T

T

Y

F

N

N

K

E

A

T

Q

Q

I

I

D

E

W

W

Y

F

N

R

E

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

K

E

Q99 (= Q67) binding substrate
DSH 192:194 (= DSH 160:162) binding substrate
C385 (= C360) binding [4Fe-4S] cluster
C448 (= C423) binding [4Fe-4S] cluster
C451 (= C426) binding [4Fe-4S] cluster
R474 (= R450) binding substrate
R479 (= R455) binding substrate
R607 (= R582) binding substrate
SR 670:671 (= SR 645:646) binding substrate

Sites not aligning to the query:

28 modified: Pyrrolidone carboxylic acid

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
58% identity, 98% coverage: 12:752/755 of query aligns to 18:750/754 of 5acnA

query
sites
5acnA

Y

Y

E

D

S

L

M

L

T

E

E

K

R

N

V

I

D

D

A

I

A

V

R

R

K

K

I

R

T

L

G

N

K

R

P

P

L

L

T

T

L

L

A

S

E

E

K

K

I

I

L

V

Y

Y

S

G

H

H

L

L

W

-

E

D

G

D

N

P

P

A

T

N

K

Q

E

E

L

I

Q

E

R

R

G

G

K

K

D

T

Y

Y

V

L

D

R

F

L

A

R

P

P

D

D

R

R

I

V

A

A

C

M

Q

Q

D

D

A

A

T

T

A

A

Q

Q

M

M

A

A

L

M

L

L

Q

Q

F

F

M

I

Q

S

A

S

G

G

K

L

A

P

K

K

V

V

A

A

V

V

P

P

T

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

K

Q

E

L

G

G

A

G

A

E

K

K

D

D

L

L

K

R

H

R

A

A

N

K

N

D

T

I

S

N

S

Q

E

E

V

V

F

Y

N

N

F

F

L

L

E

A

S

T

V

A

S

G

N

A

K

K

Y

Y

G

G

I

V

G

G

F

F

W

W

K

R

P

P

G

G

A

S

G

G

I
|
I

I

I

H
|
H

Q

Q

V

I

V

I

L

L

E

E

N

N

Y

Y

A

A

F

Y

P

P

G

G

G

V

M

L

M

L

I

I

G

G

T

T

D
|
D

S

S

H
|
H

T

T

V

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

V

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

V

V

D

D

V

V

M

M

A

A

G

G

M

I

A

P

W

W

E

E

L

L

K
|
K

F

C

P

P

K

K

L

V

I

I

G

G

V

V

K

K

L

L

T

T

G

G

K

S

L

L

S

S

G

G

W

W

T

T

A

S

P

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

E

G

I

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G
|
G

A

A

I

I

V

V

E

E

Y

Y

F

H

G

G

P

P

G

G

A

V

T

D

S

S

M

I

S

S

C

C

T

T

G

G

K

M

G

A

T

T

I

I

C

C

N

N

M

M

G

G

A

A

E

E

I

I

G

G

A

A

T

T

T

T

S

S

T

V

F

F

G

P

Y

Y

D

N

E

H

S

R

M

M

E

K

R

K

Y

Y

L

L

K

S

A

K

T

T

D

G

R

R

E

A

D

D

V

I

A

A

N

N

A

L

A

A

N

D

E

E

I

F

K

K

E

D

Y

H

L

L

T

V

A

P

D

D

A

-

E

-

V

-

Y

-

E

-

N

-

P

P

E

G

Q

C

Y

H

F

Y

D

D

Q

Q

V

V

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

G

K

P

P

L

H

L

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

S

A

T

H

T

P

V

V

G

-

S

A

E

E

M

V

T

G

E

S

K

V

A

A

N

E

A

K

N

E

D

G

W

W

P

P

L

L

T

D

V

I

E

R

W

V

G

G

L

L

I

I

G

G

S

S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

E

E

D

D

L

M

S

G

R

R

A

S

S

A

S

A

I

V

A

A

Q

K

Q

Q

A

A

I

L

D

A

K

H

G

G

L

L

K

K

T

C

K

K

A

S

E

Q

F

F

G

T

I

I

N

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

Y

A

T

T

A

I

E

E

R

R

D

D

G

G

I

Y

L

A

Q

Q

I

V

F

L

E

R

N

D

L

V

D

G

A

G

K

I

I

V

F

L

T

A

N

N

A

A

C
|
C

G

G

P

P

C
|
C

I

I

G

G

Q

Q

W

W

A

D

R

R

Y

-

S

K

D

D

P

I

K

K

N

K

A

G

P

E

K

K

N

N

S

T

I

I

V

V

H

T

S

S

F

Y

N
|
N

R
|
R

N

N

F

F

A

T

K

G

R

R

A

N

D

D

G

A

N

N

P

P

N

E

T

T

H

H

A

A

F

F

V

V

A

T

S

S

P

P

E

E

I

I

T

V

A

T

A

A

I

L

A

A

I

I

A

A

G

G

R

T

L

L

D

K

F

F

N

N

P

P

L

E

K

T

D

D

K

F

L

L

I

T

N

G

E

K

D

D

G

G

E

K

E

K

V

F

M

K

F

L

D

E

E

A

P

P

T

D

G

A

W

D

E

E

L

L

P

P

P

R

K

A

G

E

F

F

E

D

V

P

K

G

E

Q

N

D

G

T

Y

Y

L

Q

A

H

P

P

D

P

E

K

D

D

G

S

S

S

G

G

V

Q

V

R

V

V

S

D

V

V

N

S

D

P

D

T

S

S

E

Q

R

R

L

L

Q

Q

L

L

L

L

T

E

P

P

F

F

T

D

P

K

L

W

-

D

G

G

S

K

T

D

I

L

T

E

G

D

A

L

K

Q

L

I

L

L

I

I

K

K

A

V

F

K

G

G

K

K

C

C

T

T

T

T

D

D

H

H

I

I

S

S

M

A

A

A

G

G

P

P

W

W

L

L

R

K

F

F

R

R

G

G

H

H

L

L

D

D

N

N

I

I

A

S

N

N

N

N

T

L

L

L

I

I

G

G

A

A

V

I

N

N

A

I

F

E

N

N

K

R

K

K

T

A

N

N

F

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

D

G

A

P

V

V

P

P

A

D

V

T

Q

A

R

R

E

Y

Y

Y

K

K

K

Q

E

H

G

G

I

I

K

R

T

W

I

V

V

V

V

I

G

G

D

D

H

E

N

N

Y

Y

G

G

E

E

G

G

S
|
S

S

S

R
|
R

E

E

H

H

A

S

A

A

M

L

Q

E

P

P

R

R

H

H

L

L

G

G

V

G

A

R

A

A

V

I

I

I

V

T

K

K

S

S

F

F

A

A

R
|
R

I

I

H

H

E

E

T

T

N

N

L

L

K

K

K

K

Q

Q

G

G

M

L

L

L

G

P

L

L

T

T

F

F

A

A

N

D

E

P

A

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

D

V

D

D

T

K

F

L

N

T

F

I

T

Q

D

G

L

L

N

K

E

D

F

F

A

A

P

P

D

G

K

K

Q

P

L

L

T

K

L

C

E

I

I

I

V

K

H

H

K

P

D

N

G

G

S

T

S

Q

D

E

T

T

I

I

K

L

L

L

N

N

H

H

T

T

Y

F

N

N

K

E

A

T

Q

Q

I

I

D

E

W

W

Y

F

N

R

E

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

K

E

active site: D100 (= D95), H101 (= H96), D165 (= D160), R447 (= R450), S642 (= S644), R644 (= R646)
binding fe3-s4 cluster: I145 (= I140), H147 (= H142), H167 (= H162), C358 (= C360), C421 (= C423), C424 (= C426), N446 (= N449)
binding tricarballylic acid: K198 (= K193), G235 (= G230), R666 (= R668)

1b0kA S642a:fluorocitrate complex of aconitase (see paper)
58% identity, 98% coverage: 12:752/755 of query aligns to 17:749/753 of 1b0kA

query
sites
1b0kA

Y

Y

E

D

S

L

M

L

T

E

E

K

R

N

V

I

D

D

A

I

A

V

R

R

K

K

I

R

T

L

G

N

K

R

P

P

L

L

T

T

L

L

A

S

E

E

K

K

I

I

L

V

Y

Y

S

G

H

H

L

L

W

-

E

D

G

D

N

P

P

A

T

N

K

Q

E

E

L

I

Q

E

R

R

G

G

K

K

D

T

Y

Y

V

L

D

R

F

L

A

R

P

P

D

D

R

R

I

V

A

A

C

M

Q
|
Q

D

D

A

A

T

T

A

A

Q

Q

M

M

A

A

L

M

L

L

Q

Q

F

F

M

I

Q

S

A

S

G

G

K

L

A

P

K

K

V

V

A

A

V

V

P

P

T

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

K

Q

E

L

G

G

A

G

A

E

K

K

D

D

L

L

K

R

H

R

A

A

N

K

N

D

T

I

S

N

S

Q

E

E

V

V

F

Y

N

N

F

F

L

L

E

A

S

T

V

A

S

G

N

A

K

K

Y

Y

G

G

I

V

G

G

F

F

W

W

K

R

P

P

G

G

A

S

G

G

I

I

I

I

H

H

Q

Q

V

I

V

I

L

L

E

E

N

N

Y

Y

A

A

F

Y

P

P

G

G

G

V

M

L

M

L

I

I

G

G

T

T

D
|
D

S
|
S

H
|
H

T

T

V

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

V

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

V

V

D

D

V

V

M

M

A

A

G

G

M

I

A

P

W

W

E

E

L

L

K

K

F

C

P

P

K

K

L

V

I

I

G

G

V

V

K

K

L

L

T

T

G

G

K

S

L

L

S

S

G

G

W

W

T

T

A

S

P

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

E

G

I

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

A

A

I

I

V

V

E

E

Y

Y

F

H

G

G

P

P

G

G

A

V

T

D

S

S

M

I

S

S

C

C

T

T

G

G

K

M

G

A

T

T

I

I

C

C

N

N

M

M

G

G

A

A

E

E

I

I

G

G

A

A

T

T

T

T

S

S

T

V

F

F

G

P

Y

Y

D

N

E

H

S

R

M

M

E

K

R

K

Y

Y

L

L

K

S

A

K

T

T

D

G

R

R

E

A

D

D

V

I

A

A

N

N

A

L

A

A

N

D

E

E

I

F

K

K

E

D

Y

H

L

L

T

V

A

P

D

D

A

-

E

-

V

-

Y

-

E

-

N

-

P

P

E

G

Q

C

Y

H

F

Y

D

D

Q

Q

V

V

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

G

K

P

P

L

H

L

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

S

A

T

H

T

P

V

V

G

-

S

A

E

E

M

V

T

G

E

S

K

V

A

A

N

E

A

K

N

E

D

G

W

W

P

P

L

L

T

D

V

I

E

R

W

V

G

G

L

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

E

E

D

D

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R

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A

I

V

A

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G

L

L

K

K

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C

K

K

A

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I

I

N

T

P

P

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E

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D

D

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D

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A

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N

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C
|
C

G

G

P

P

C
|
C

I

I

G

G

Q

Q

W

W

A

D

R

R

Y

-

S

K

D

D

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I

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K

N

K

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K

K

N

N

S

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I

I

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V

H

T

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S

F

Y

N

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R
|
R

N

N

F

F

A

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|
R

A

N

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A

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P

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H

H

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F

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P

P

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E

I

I

T

V

A

T

A

A

I

L

A

A

I

I

A

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G

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L

L

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N

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L

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D

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A

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P

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W

L

L

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|
R

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G

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H

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L

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D

N

N

I

I

A

S

N

N

N

N

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L

L

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I

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G

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I

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N

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V

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G

G

D

D

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N

N

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Y

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G

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x
A

S
|
S

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|
R

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E

H

H

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L

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P

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H

L

L

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G

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G

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K

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S

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F

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A

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R

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H

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N

L

L

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K

K

K

Q

Q

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G

M

L

L

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L

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F

A

A

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Y

Y

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I

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L

L

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H

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N

K

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A

T

Q

Q

I

I

D

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W

W

Y

F

N

R

E

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

K

E

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R450), A641 (≠ S644), R643 (= R646)
binding citrate anion: Q71 (= Q67), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R450), R451 (= R455), R579 (= R582), A641 (≠ S644), S642 (= S645), R643 (= R646)
binding oxygen atom: D164 (= D160), H166 (= H162)
binding iron/sulfur cluster: H100 (= H96), D164 (= D160), H166 (= H162), S356 (= S359), C357 (= C360), C420 (= C423), C423 (= C426)

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
58% identity, 98% coverage: 12:752/755 of query aligns to 45:777/780 of P20004

query
sites
P20004

Y

Y

E

D

S

L

M

L

T

E

E

K

R

N

V

I

D

N

A

I

A

V

R

R

K

K

I

R

T

L

G

N

K

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P

P

L

L

T

T

L

L

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K

K

I

I

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Y

Y

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G

H

H

L

L

W

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D

G

D

N

P

P

A

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N

K

Q

E

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Q

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R

G

G

K

K

D

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Y

Y

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D

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F

L

A

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P

P

D

D

R

R

I

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A

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C

M

Q
|
Q

D

D

A

A

T

T

A

A

Q

Q

M

M

A

A

L

M

L

L

Q

Q

F

F

M

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Q

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A

S

G

G

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K

K

V

V

A

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C

D

D

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L

L

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Q

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G

A

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K

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D

L

L

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N

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N

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N

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N

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F

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K

Y

Y

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W

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I

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N

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M

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D

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H
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H

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N

N

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G

G

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N

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N

A

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C
|
C

G

G

P

P

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|
C

I

I

G

G

Q

Q

W

W

A

D

R

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K

N

K

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K

K

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N

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I

I

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S

F

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N

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R
|
R

N

N

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F

A

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|
R

A

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D

D

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A

N

N

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A

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G

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L

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N

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L

K

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L

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L

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I

I

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K

G

G

K

K

C

C

T

T

T

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D

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H

I

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S

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A

A

A

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G

P

P

W

W

L

L

R

K

F

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

A

S

N

N

N

N

T

L

L

L

I

I

G

G

A

A

V

I

N

N

A

V

F

E

N

N

K

G

K

K

T

A

N

N

F

S

V

V

K

R

N

N

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A

L

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T

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Q

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E

Y

F

D

G

A

P

V

V

P

P

A

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A

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Y

Y

Y

K

K

K

K

E

H

G

G

I

I

K

R

T

W

I

V

V

V

V

I

G

G

D

D

H

E

N

N

Y

Y

G

G

E

E

G

G

S

S

S
|
S

R
|
R

E

E

H

H

A

A

A

A

M

L

Q

E

P

P

R

R

H

H

L

L

G

G

V

G

A

R

A

A

V

I

I

I

V

T

K

K

S

S

F

F

A

A

R

R

I

I

H

H

E

E

T

T

N

N

L

L

K

K

K

K

Q

Q

G

G

M

L

L

L

G

P

L

L

T

T

F

F

A

A

N

D

E

P

A

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

D

V

D

D

T

K

F

L

N

T

F

I

T

K

D

G

L

L

N

K

E

D

F

F

A

A

P

P

D

G

K

K

Q

P

L

L

T

T

L

C

E

I

I

I

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K

H

H

K

P

D

N

G

G

S

T

S

Q

D

E

T

T

I

I

K

L

L

L

N

N

H

H

T

T

Y

F

N

N

K

E

A

T

Q

Q

I

I

D

E

W

W

Y

F

N

R

E

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

K

E

Q99 (= Q67) binding substrate
DSH 192:194 (= DSH 160:162) binding substrate
C385 (= C360) binding [4Fe-4S] cluster
C448 (= C423) binding [4Fe-4S] cluster
C451 (= C426) binding [4Fe-4S] cluster
R474 (= R450) binding substrate
R479 (= R455) binding substrate
R607 (= R582) binding substrate
SR 670:671 (= SR 645:646) binding substrate

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
58% identity, 98% coverage: 12:752/755 of query aligns to 17:749/753 of 8acnA

query
sites
8acnA

Y

Y

E

D

S

L

M

L

T

E

E

K

R

N

V

I

D

D

A

I

A

V

R

R

K

K

I

R

T

L

G

N

K

R

P

P

L

L

T

T

L

L

A

S

E

E

K

K

I

I

L

V

Y

Y

S

G

H

H

L

L

W

-

E

D

G

D

N

P

P

A

T

N

K

Q

E

E

L

I

Q

E

R

R

G

G

K

K

D

T

Y

Y

V

L

D

R

F

L

A

R

P

P

D

D

R

R

I

V

A

A

C

M

Q
|
Q

D

D

A

A

T
|
T

A

A

Q

Q

M

M

A

A

L

M

L

L

Q

Q

F

F

M

I

Q

S

A

S

G

G

K

L

A

P

K

K

V

V

A

A

V

V

P

P

T

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

K

Q

E

L

G

G

A

G

A

E

K

K

D

D

L

L

K

R

H

R

A

A

N

K

N

D

T

I

S

N

S

Q

E

E

V

V

F

Y

N

N

F

F

L

L

E

A

S

T

V

A

S

G

N

A

K

K

Y

Y

G

G

I

V

G

G

F

F

W

W

K

R

P

P

G

G

A

S

G

G

I

I

I

I

H

H

Q

Q

V

I

V

I

L

L

E

E

N

N

Y

Y

A

A

F

Y

P

P

G

G

G

V

M

L

M

L

I

I

G

G

T

T

D
|
D

S
|
S

H
|
H

T

T

V

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

V

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

V

V

D

D

V

V

M

M

A

A

G

G

M

I

A

P

W

W

E

E

L

L

K

K

F

C

P

P

K

K

L

V

I

I

G

G

V

V

K

K

L

L

T

T

G

G

K

S

L

L

S

S

G

G

W

W

T

T

A

S

P

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

E

G

I

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

A

A

I

I

V

V

E

E

Y

Y

F

H

G

G

P

P

G

G

A

V

T

D

S

S

M

I

S

S

C

C

T

T

G

G

K

M

G

A

T

T

I

I

C

C

N

N

M

M

G

G

A

A

E

E

I

I

G

G

A

A

T

T

T

T

S

S

T

V

F

F

G

P

Y

Y

D

N

E

H

S

R

M

M

E

K

R

K

Y

Y

L

L

K

S

A

K

T

T

D

G

R

R

E

A

D

D

V

I

A

A

N

N

A

L

A

A

N

D

E

E

I

F

K

K

E

D

Y

H

L

L

T

V

A

P

D

D

A

S

E

G

V

C

Y

-

E

-

N

-

P

-

E

-

Q

-

Y

H

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

G

K

P

P

L

H

L

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

S

A

T

H

T

P

V

V

G

-

S

A

E

E

M

V

T

G

E

S

K

V

A

A

N

E

A

K

N

E

D

G

W

W

P

P

L

L

T

D

V

I

E

R

W

V

G

G

L

L

I

I

G

G

S
|
S

C
|
C

T

T

N

N

S

S

S

S

Y

Y

E

E

D

D

L

M

S

G

R

R

A

S

S

A

S

A

I

V

A

A

Q

K

Q

Q

A

A

I

L

D

A

K

H

G

G

L

L

K

K

T

C

K

K

A

S

E

Q

F

F

G

T

I

I

N

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

Y

A

T

T

A

I

E

E

R

R

D

D

G

G

I

Y

L

A

Q

Q

I

V

F

L

E

R

N

D

L

V

D

G

A

G

K

I

I

V

F

L

T

A

N

N

A

A

C
|
C

G

G

P

P

C
|
C

I
|
I

G

G

Q

Q

W

W

A

D

R

R

Y

-

S

K

D

D

P

I

K

K

N

K

A

G

P

E

K

K

N

N

S

T

I

I

V

V

H

T

S

S

F

Y

N

N

R
|
R

N

N

F

F

A

T

K

G

R
|
R

A

N

D

D

G

A

N

N

P

P

N

E

T

T

H

H

A

A

F

F

V

V

A

T

S

S

P

P

E

E

I

I

T

V

A

T

A

A

I

L

A

A

I

I

A

A

G

G

R

T

L

L

D

K

F

F

N

N

P

P

L

E

K

T

D

D

K

F

L

L

I

T

N

G

E

K

D

D

G

G

E

K

E

K

V

F

M

K

F

L

D

E

E

A

P

P

T

D

G

A

W

D

E

E

L

L

P

P

P

R

K

A

G

E

F

F

E

D

V

P

K

G

E

Q

N

D

G

T

Y

Y

L

Q

A

H

P

P

D

P

E

K

D

D

G

S

S

S

G

G

V

Q

V

R

V

V

S

D

V

V

N

S

D

P

D

T

S

S

E

Q

R

R

L

L

Q

Q

L

L

L

L

T

E

P

P

F

F

T

D

P

K

L

W

-

D

G

G

S

K

T

D

I

L

T

E

G

D

A

L

K

Q

L

I

L

L

I

I

K

K

A

V

F

K

G

G

K

K

C

C

T

T

T

T

D

D

H

H

I

I

S

S

M

A

A

A

G

G

P

P

W

W

L

L

R

K

F

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

A

S

N

N

N

N

T

L

L

L

I

I

G

G

A

A

V

I

N

N

A

S

F

E

N

N

K

R

K

K

T

A

N

N

F

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

D

G

A

P

V

V

P

P

A

D

V

T

Q

A

R

R

E

Y

Y

Y

K

K

K

Q

E

H

G

G

I

I

K

R

T

W

I

V

V

V

V

I

G

G

D

D

H

E

N

N

Y

Y

G

G

E

E

G

G

S
|
S

S
|
S

R
|
R

E

E

H

H

A

S

A

A

M

L

Q

E

P

P

R

R

H

F

L

L

G

G

V

G

A

R

A

A

V

I

I

I

V

T

K

K

S

S

F

F

A

A

R

R

I

I

H

H

E

E

T

T

N

N

L

L

K

K

K

K

Q

Q

G

G

M

L

L

L

G

P

L

L

T

T

F

F

A

A

N

D

E

P

A

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

D

V

D

D

T

K

F

L

N

T

F

I

T

Q

D

G

L

L

N

K

E

D

F

F

A

A

P

P

D

G

K

K

Q

P

L

L

T

T

L

C

E

I

I

I

V

K

H

H

K

P

D

N

G

G

S

T

S

Q

D

E

T

T

I

I

K

L

L

L

N

N

H

H

T

T

Y

F

N

N

K

E

A

T

Q

Q

I

I

D

E

W

W

Y

F

N

R

E

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

K

E

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R450), S641 (= S644), R643 (= R646)
binding nitroisocitric acid: Q71 (= Q67), T74 (= T70), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R450), R451 (= R455), R579 (= R582), S641 (= S644), S642 (= S645), R643 (= R646)
binding iron/sulfur cluster: H100 (= H96), D164 (= D160), H166 (= H162), S356 (= S359), C357 (= C360), C420 (= C423), C423 (= C426), I424 (= I427)

1fghA Complex with 4-hydroxy-trans-aconitate (see paper)
58% identity, 98% coverage: 12:752/755 of query aligns to 17:749/753 of 1fghA

query
sites
1fghA

Y

Y

E

D

S

L

M

L

T

E

E

K

R

N

V

I

D

D

A

I

A

V

R

R

K

K

I

R

T

L

G

N

K

R

P

P

L

L

T

T

L

L

A

S

E

E

K

K

I

I

L

V

Y

Y

S

G

H

H

L

L

W

-

E

D

G

D

N

P

P

A

T

N

K

Q

E

E

L

I

Q

E

R

R

G

G

K

K

D

T

Y

Y

V

L

D

R

F

L

A

R

P

P

D

D

R

R

I

V

A

A

C

M

Q
|
Q

D

D

A

A

T
|
T

A

A

Q

Q

M

M

A

A

L

M

L

L

Q

Q

F

F

M

I

Q

S

A

S

G

G

K

L

A

P

K

K

V

V

A

A

V

V

P

P

T

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

K

Q

E

L

G

G

A

G

A

E

K

K

D

D

L

L

K

R

H

R

A

A

N

K

N

D

T

I

S

N

S

Q

E

E

V

V

F

Y

N

N

F

F

L

L

E

A

S

T

V

A

S

G

N

A

K

K

Y

Y

G

G

I

V

G

G

F

F

W

W

K

R

P

P

G

G

A

S

G

G

I

I

I

I

H

H

Q

Q

V

I

V

I

L

L

E

E

N

N

Y

Y

A

A

F

Y

P

P

G

G

G

V

M

L

M

L

I

I

G

G

T

T

D
|
D

S
|
S

H
|
H

T

T

V

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G