SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111391081.1 NCBI__GCF_003253485.1:WP_111391081.1 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)

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 8acnA

query
sites
8acnA

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active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding nitroisocitric acid: Q71 (= Q67), T74 (= T70), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), S641 (= S643), S642 (= S644), R643 (= R645)
binding iron/sulfur cluster: H100 (= H96), D164 (= D160), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425), I424 (= I426)

1fghA Complex with 4-hydroxy-trans-aconitate (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 1fghA

query
sites
1fghA

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R

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R

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A

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G

T

K

D

D

L

L

T

E

G

D

L

L

K

Q

L

I

L

L

I

I

K

K

A

V

K

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

K

K

Y

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

V

I

N

N

A

S

F

E

N

N

D

R

A

K

T

A

N

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

G

G

E

P

V

V

P

P

A

D

T

T

Q

A

R

R

Q

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

S

W

I

V

V

V

V

I

G

G

D

D

E

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

E

E

P

P

R

R

F

F

L

L

G

G

V

G

R

R

A

A

I

I

L

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

A

P

L

L

T

T

F

F

A

A

N

D

P

P

S

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

N

V

D

D

S

K

I

L

D

T

I

I

V

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

P

P

L

L

Q

T

I

C

V

I

L

I

N

K

H

H

Q

P

D

N

G

G

S

T

S

Q

H

E

S

T

I

I

Q

L

A

L

N

N

H

H

T

T

Y

F

N

N

E

E

G

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding 4-hydroxy-aconitate ion: Q71 (= Q67), T74 (= T70), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), S641 (= S643), S642 (= S644), R643 (= R645)
binding iron/sulfur cluster: H100 (= H96), D164 (= D160), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425), I424 (= I426), R451 (= R453)

1amjA Steric and conformational features of the aconitase mechanism (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 1amjA

query
sites
1amjA

Y

Y

A

D

R

L

F

L

P

E

E

K

R

N

I

I

S

D

A

I

A

V

R

R

K

K

A

R

V

L

G

N

K

R

P

P

L

L

T

T

L

L

T

S

E

E

K

K

I

I

L

V

Y

Y

A

G

H

H

L

L

T

D

E

D

G

-

P

P

A

A

S

N

Q

Q

A

E

Y

I

G

E

R

R

G

G

K

K

S

T

Y

Y

V

L

D

R

F

L

Q

R

P

P

D

D

R

R

V

V

A

A

M

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

R

L

E

P

K

K

V

V

A

A

V

V

P

P

S

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

E

Q

V

L

G

G

A

G

E

E

K

K

D

D

L

L

N

R

K

R

A

A

K

K

D

D

K

I

N

N

R

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

A

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

P

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

I

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

C

V

D

D

V

V

M

M

A

A

G

G

L

I

P

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

M

L

S

S

G

G

W

W

T

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

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

E

P

G

G

A

V

R

D

S

S

L

I

S

S

A

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

I

V

F

F

G

P

Y

Y

D

N

E

H

K

R

S

M

A

K

A

K

Y

Y

L

L

Q

S

G

K

T

T

G

G

R

R

A

A

D

D

I

I

A

A

A

N

M

L

A

A

D

D

A

E

I

F

A

K

E

D

H

H

L

L

T

V

G

P

D

D

E

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

Q

-

Y

-

F

Y

D

D

Q

Q

L

L

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

E

K

P

P

H

H

V

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

A

A

W

H

P

P

I

V

S

A

K

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

N

E

G

G

W

W

P

P

A

L

K

D

L

I

D

R

V

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

I

M

S

G

R

R

A

S

A

A

S

A

L

V

A

A

Q

K

Q

Q

A

A

V

L

D

A

K

H

K

G

L

L

N

K

A

C

K

K

S

S

E

Q

Y

F

T

T

I

I

T

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

F

A

T

T

V

I

E

E

R

R

D

D

G

G

F

Y

L

A

D

Q

T

V

F

L

G

R

K

D

M

V

G

G

G

G

V

I

V

V

L

L

A

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

H

K

G

D

A

I

E

K

K

K

Q

G

E

E

K

K

N

N

S

T

I

I

I

V

T

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

V

V

T

T

A

A

L

L

A

A

I

I

A

A

G

G

D

T

L

L

T

K

F

F

N

N

P

P

L

E

T

T

D

D

T

F

L

L

T

T

N

G

A

K

E

D

G

G

Q

K

Q

K

V

F

K

K

L

L

D

E

E

A

P

P

R

D

G

A

L

D

E

E

L

L

P

P

T

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

A

H

P

P

A

P

E

K

D

D

G

S

S

S

S

G

V

Q

Q

R

V

V

L

D

V

V

S

S

P

P

T

T

S

S

D

Q

R

R

L

L

Q

Q

L

L

L

L

D

E

S

P

F

F

P

D

A

K

W

W

E

D

G

G

T

K

D

D

L

L

T

E

G

D

L

L

K

Q

L

I

L

L

I

I

K

K

A

V

K

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

K

K

Y

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

V

I

N

N

A

S

F

E

N

N

D

R

A

K

T

A

N

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

G

G

E

P

V

V

P

P

A

D

T

T

Q

A

R

R

Q

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

S

W

I

V

V

V

V

I

G

G

D

D

E

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

E

E

P

P

R

R

F

F

L

L

G

G

V

G

R

R

A

A

I

I

L

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

A

P

L

L

T

T

F

F

A

A

N

D

P

P

S

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

N

V

D

D

S

K

I

L

D

T

I

I

V

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

P

P

L

L

Q

T

I

C

V

I

L

I

N

K

H

H

Q

P

D

N

G

G

S

T

S

Q

H

E

S

T

I

I

Q

L

A

L

N

N

H

H

T

T

Y

F

N

N

E

E

G

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding iron/sulfur cluster: I144 (= I140), H166 (= H162), C357 (= C359), C420 (= C422), C423 (= C425)
binding sulfate ion: Q71 (= Q67), R579 (= R581), R643 (= R645)

1amiA Steric and conformational features of the aconitase mechanism (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 1amiA

query
sites
1amiA

Y

Y

A

D

R

L

F

L

P

E

E

K

R

N

I

I

S

D

A

I

A

V

R

R

K

K

A

R

V

L

G

N

K

R

P

P

L

L

T

T

L

L

T

S

E

E

K

K

I

I

L

V

Y

Y

A

G

H

H

L

L

T

D

E

D

G

-

P

P

A

A

S

N

Q

Q

A

E

Y

I

G

E

R

R

G

G

K

K

S

T

Y

Y

V

L

D

R

F

L

Q

R

P

P

D

D

R

R

V

V

A

A

M

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

R

L

E

P

K

K

V

V

A

A

V

V

P

P

S

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

E

Q

V

L

G

G

A

G

E

E

K

K

D

D

L

L

N

R

K

R

A

A

K

K

D

D

K

I

N

N

R

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

A

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

P

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

I

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

C

V

D

D

V

V

M

M

A

A

G

G

L

I

P

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

M

L

S

S

G

G

W

W

T

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

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

E

P

G

G

A

V

R

D

S

S

L

I

S

S

A

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

I

V

F

F

G

P

Y

Y

D

N

E

H

K

R

S

M

A

K

A

K

Y

Y

L

L

Q

S

G

K

T

T

G

G

R

R

A

A

D

D

I

I

A

A

A

N

M

L

A

A

D

D

A

E

I

F

A

K

E

D

H

H

L

L

T

V

G

P

D

D

E

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

Q

-

Y

-

F

Y

D

D

Q

Q

L

L

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

E

K

P

P

H

H

V

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

A

A

W

H

P

P

I

V

S

A

K

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

N

E

G

G

W

W

P

P

A

L

K

D

L

I

D

R

V

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

I

M

S

G

R

R

A

S

A

A

S

A

L

V

A

A

Q

K

Q

Q

A

A

V

L

D

A

K

H

K

G

L

L

N

K

A

C

K

K

S

S

E

Q

Y

F

T

T

I

I

T

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

F

A

T

T

V

I

E

E

R

R

D

D

G

G

F

Y

L

A

D

Q

T

V

F

L

G

R

K

D

M

V

G

G

G

G

V

I

V

V

L

L

A

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

H

K

G

D

A

I

E

K

K

K

Q

G

E

E

K

K

N

N

S

T

I

I

I

V

T

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

V

V

T

T

A

A

L

L

A

A

I

I

A

A

G

G

D

T

L

L

T

K

F

F

N

N

P

P

L

E

T

T

D

D

T

F

L

L

T

T

N

G

A

K

E

D

G

G

Q

K

Q

K

V

F

K

K

L

L

D

E

E

A

P

P

R

D

G

A

L

D

E

E

L

L

P

P

T

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

A

H

P

P

A

P

E

K

D

D

G

S

S

S

S

G

V

Q

Q

R

V

V

L

D

V

V

S

S

P

P

T

T

S

S

D

Q

R

R

L

L

Q

Q

L

L

L

L

D

E

S

P

F

F

P

D

A

K

W

W

E

D

G

G

T

K

D

D

L

L

T

E

G

D

L

L

K

Q

L

I

L

L

I

I

K

K

A

V

K

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

K

K

Y

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

V

I

N

N

A

S

F

E

N

N

D

R

A

K

T

A

N

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

G

G

E

P

V

V

P

P

A

D

T

T

Q

A

R

R

Q

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

S

W

I

V

V

V

V

I

G

G

D

D

E

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

E

E

P

P

R

R

F

F

L

L

G

G

V

G

R

R

A

A

I

I

L

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

A

P

L

L

T

T

F

F

A

A

N

D

P

P

S

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

N

V

D

D

S

K

I

L

D

T

I

I

V

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

P

P

L

L

Q

T

I

C

V

I

L

I

N

K

H

H

Q

P

D

N

G

G

S

T

S

Q

H

E

S

T

I

I

Q

L

A

L

N

N

H

H

T

T

Y

F

N

N

E

E

G

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding alpha-methylisocitric acid: Q71 (= Q67), T74 (= T70), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), S641 (= S643), S642 (= S644), R643 (= R645)
binding iron/sulfur cluster: H100 (= H96), I144 (= I140), D164 (= D160), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425), N445 (= N447)

1acoA Crystal structure of aconitase with transaconitate bound (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 1acoA

query
sites
1acoA

Y

Y

A

D

R

L

F

L

P

E

E

K

R

N

I

I

S

D

A

I

A

V

R

R

K

K

A

R

V

L

G

N

K

R

P

P

L

L

T

T

L

L

T

S

E

E

K

K

I

I

L

V

Y

Y

A

G

H

H

L

L

T

D

E

D

G

-

P

P

A

A

S

N

Q

Q

A

E

Y

I

G

E

R

R

G

G

K

K

S

T

Y

Y

V

L

D

R

F

L

Q

R

P

P

D

D

R

R

V

V

A

A

M

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

R

L

E

P

K

K

V

V

A

A

V

V

P

P

S

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

E

Q

V

L

G

G

A

G

E

E

K

K

D

D

L

L

N

R

K

R

A

A

K

K

D

D

K

I

N

N

R

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

A

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

P

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

I

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

C

V

D

D

V

V

M

M

A

A

G

G

L

I

P

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

M

L

S

S

G

G

W

W

T

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

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

E

P

G

G

A

V

R

D

S

S

L

I

S

S

A

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

I

V

F

F

G

P

Y

Y

D

N

E

H

K

R

S

M

A

K

A

K

Y

Y

L

L

Q

S

G

K

T

T

G

G

R

R

A

A

D

D

I

I

A

A

A

N

M

L

A

A

D

D

A

E

I

F

A

K

E

D

H

H

L

L

T

V

G

P

D

D

E

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

Q

-

Y

-

F

Y

D

D

Q

Q

L

L

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

E

K

P

P

H

H

V

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

A

A

W

H

P

P

I

V

S

A

K

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

N

E

G

G

W

W

P

P

A

L

K

D

L

I

D

R

V

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

I

M

S

G

R

R

A

S

A

A

S

A

L

V

A

A

Q

K

Q

Q

A

A

V

L

D

A

K

H

K

G

L

L

N

K

A

C

K

K

S

S

E

Q

Y

F

T

T

I

I

T

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

F

A

T

T

V

I

E

E

R

R

D

D

G

G

F

Y

L

A

D

Q

T

V

F

L

G

R

K

D

M

V

G

G

G

G

V

I

V

V

L

L

A

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

H

K

G

D

A

I

E

K

K

K

Q

G

E

E

K

K

N

N

S

T

I

I

I

V

T

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

V

V

T

T

A

A

L

L

A

A

I

I

A

A

G

G

D

T

L

L

T

K

F

F

N

N

P

P

L

E

T

T

D

D

T

F

L

L

T

T

N

G

A

K

E

D

G

G

Q

K

Q

K

V

F

K

K

L

L

D

E

E

A

P

P

R

D

G

A

L

D

E

E

L

L

P

P

T

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

A

H

P

P

A

P

E

K

D

D

G

S

S

S

S

G

V

Q

Q

R

V

V

L

D

V

V

S

S

P

P

T

T

S

S

D

Q

R

R

L

L

Q

Q

L

L

L

L

D

E

S

P

F

F

P

D

A

K

W

W

E

D

G

G

T

K

D

D

L

L

T

E

G

D

L

L

K

Q

L

I

L

L

I

I

K

K

A

V

K

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

K

K

Y

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

V

I

N

N

A

S

F

E

N

N

D

R

A

K

T

A

N

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

G

G

E

P

V

V

P

P

A

D

T

T

Q

A

R

R

Q

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

S

W

I

V

V

V

V

I

G

G

D

D

E

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

E

E

P

P

R

R

F

F

L

L

G

G

V

G

R

R

A

A

I

I

L

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

A

P

L

L

T

T

F

F

A

A

N

D

P

P

S

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

N

V

D

D

S

K

I

L

D

T

I

I

V

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

P

P

L

L

Q

T

I

C

V

I

L

I

N

K

H

H

Q

P

D

N

G

G

S

T

S

Q

H

E

S

T

I

I

Q

L

A

L

N

N

H

H

T

T

Y

F

N

N

E

E

G

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding iron/sulfur cluster: H100 (= H96), I144 (= I140), D164 (= D160), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425), N445 (= N447)
binding aconitate ion: Q71 (= Q67), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), S641 (= S643), S642 (= S644), R643 (= R645)

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
64% identity, 98% coverage: 12:750/753 of query aligns to 45:776/780 of P20004

query
sites
P20004

Y

Y

A

D

R

L

F

L

P

E

E

K

R

N

I

I

S

N

A

I

A

V

R

R

K

K

A

R

V

L

G

N

K

R

P

P

L

L

T

T

L

L

T

S

E

E

K

K

I

I

L

V

Y

Y

A

G

H

H

L

L

T

D

E

D

G

-

P

P

A

A

S

N

Q

Q

A

E

Y

I

G

E

R

R

G

G

K

K

S

T

Y

Y

V

L

D

R

F

L

Q

R

P

P

D

D

R

R

V

V

A

A

M

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

R

L

E

P

K

K

V

V

A

A

V

V

P

P

S

S

T

T

V

I

H

H

C

C

D

D

H

H

L

L

I

I

Q

E

A

A

E

Q

V

L

G

G

A

G

E

E

K

K

D

D

L

L

N

R

K

R

A

A

K

K

D

D

K

I

N

N

R

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

A

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

P

P

N

N

A

G

G

G

G

G

L

L

G

G

M

G

I

I

A

C

I

I

G

G

V

V

G

G

G

G

A

A

D

D

A

A

C

V

D

D

V

V

M

M

A

A

G

G

L

I

P

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

M

L

S

S

G

G

W

W

T

T

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

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

E

P

G

G

A

V

R

D

S

S

L

I

S

S

A

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

I

V

F

F

G

P

Y

Y

D

N

E

H

K

R

S

M

A

K

A

K

Y

Y

L

L

Q

S

G

K

T

T

G

G

R

R

A

A

D

D

I

I

A

A

A

N

M

L

A

A

D

D

A

E

I

F

A

K

E

D

H

H

L

L

T

V

G

P

D

D

E

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

Q

-

Y

-

F

Y

D

D

Q

Q

L

L

I

I

E

E

I

I

N

N

L

L

S

S

E

E

L

L

E

K

P

P

H

H

V

I

N

N

G

G

P

P

F

F

T

T

P

P

D

D

L

L

A

A

W

H

P

P

I

V

S

A

K

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

N

E

G

G

W

W

P

P

A

L

K

D

L

I

D

R

V

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

I

M

S

G

R

R

A

S

A

A

S

A

L

V

A

A

Q

K

Q

Q

A

A

V

L

D

A

K

H

K

G

L

L

N

Q

A

C

K

K

S

S

E

Q

Y

F

T

T

I

I

T

T

P

P

G

G

S

S

E

E

Q

Q

V

I

R

R

F

A

T

T

V

I

E

E

R

R

D

D

G

G

F

Y

L

A

D

Q

T

I

F

L

G

R

K

D

M

V

G

G

G

G

V

I

V

V

L

L

A

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

H

K

G

D

A

I

E

K

K

K

Q

G

E

E

K

K

N

N

S

T

I

I

I

V

T

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

V

V

T

T

A

A

L

L

A

A

I

I

A

A

G

G

D

T

L

L

T

K

F

F

N

N

P

P

L

E

T

T

D

D

T

F

L

L

T

T

N

G

A

K

E

D

G

G

Q

K

Q

K

V

F

K

K

L

L

D

E

E

A

P

P

R

D

G

A

L

D

E

E

L

L

P

P

T

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

A

H

P

P

A

P

E

K

D

D

G

S

S

S

S

G

V

Q

Q

Q

V

V

L

D

V

V

S

S

P

P

T

T

S

S

D

Q

R

R

L

L

Q

Q

L

L

L

L

D

E

S

P

F

F

P

D

A

K

W

W

E

D

G

G

T

R

D

D

L

L

T

E

G

D

L

L

K

Q

L

I

L

L

I

I

K

K

A

V

K

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

K

K

Y

F

R
|
R

G

G

H

H

L

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

V

I

N

N

A

V

F

E

N

N

D

G

A

K

T

A

N

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

E

E

Y

F

G

G

E

P

V

V

P

P

A

D

T

T

Q

A

R

R

Q

Y

Y

Y

K

K

A

K

A

H

G

G

I

I

G

R

S

W

I

V

V

V

V

I

G

G

D

D

E

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

E

E

P

P

R

R

F

H

L

L

G

G

V

G

R

R

A

A

I

I

L

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

A

P

L

L

T

T

F

F

A

A

N

D

P

P

S

A

D

D

Y

Y

D

N

L

K

I

I

Q

H

E

P

N

V

D

D

S

K

I

L

D

T

I

I

V

K

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

P

P

L

L

Q

T

I

C

V

I

L

I

N

K

H

H

Q

P

D

N

G

G

S

T

S

Q

H

E

S

T

I

I

Q

L

A

L

N

N

H

H

T

T

Y

F

N

N

E

E

G

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

S

S

A

A

L

L

N

N

L

R

I

M

K

K

Q99 (= Q67) binding substrate
DSH 192:194 (= DSH 160:162) binding substrate
C385 (= C359) binding [4Fe-4S] cluster
C448 (= C422) binding [4Fe-4S] cluster
C451 (= C425) binding [4Fe-4S] cluster
R474 (= R448) binding substrate
R479 (= R453) binding substrate
R607 (= R581) binding substrate
SR 670:671 (= SR 644:645) binding substrate

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
64% identity, 98% coverage: 12:750/753 of query aligns to 17:748/753 of 1nisA

query
sites
1nisA

Y

Y

A

D

R

L

F

L

P

E

E

K

R

N

I

I

S

D

A

I

A

V

R

R

K

K

A

R

V

L

G

N

K

R

P

P

L

L

T

T

L

L

T

S

E

E

K

K

I

I

L

V

Y

Y

A

G

H

H

L

L

T

D

E

D

G

-

P

P

A

A

S

N

Q

Q

A

E

Y

I

G

E

R

R

G

G

K

K

S

T

Y

Y

V

L

D

R

F

L

Q

R

P

P

D

D

R

R

V

V

A

A

M

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

R

L

E

P

K

K

V

V

A

A

V

V

P

P

S

S

T

T

V

I

H

H

C

C

D
|
D

H
|
H

L

L

I

I

Q

E

A

A

E

Q

V

L

G

G

A

G

E

E

K

K

D

D

L

L

N

R

K

R

A

A

K

K

D

D

K

I

N

N

R

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

A

A

S

T

V

A