SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_016194830.1 NCBI__GCF_000403135.1:WP_016194830.1 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)

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
61% identity, 98% coverage: 12:753/755 of query aligns to 18:750/754 of 5acnA

query
sites
5acnA

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active site: D100 (= D95), H101 (= H96), D165 (= D160), R447 (= R448), S642 (= S643), R644 (= R645)
binding fe3-s4 cluster: I145 (= I140), H147 (= H142), H167 (= H162), C358 (= C359), C421 (= C422), C424 (= C425), N446 (= N447)
binding tricarballylic acid: K198 (= K193), G235 (= G230), R666 (= R667)

P16276 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Sus scrofa (Pig) (see 3 papers)
61% identity, 98% coverage: 12:753/755 of query aligns to 45:777/781 of P16276

query
sites
P16276

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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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

I

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

R

A

A

M

L

E

E

P

P

R

R

H

H

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

K

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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

Sites not aligning to the query:

28 modified: Pyrrolidone carboxylic acid

1b0kA S642a:fluorocitrate complex of aconitase (see paper)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1b0kA

query
sites
1b0kA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

-

E

-

V

-

Y

-

A

-

N

-

P

P

E

G

L

C

Y

H

F

Y

D

D

Q

Q

V

V

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

I

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

W

I

V

V

V

V

I

G

G

D

D

E

E

N

N

Y

Y

G

G

E

E

G

G

S
x
A

S
|
S

R
|
R

E

E

H

H

A

S

A

A

M

L

E

E

P

P

R

R

H

H

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

K

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), A641 (≠ S643), R643 (= R645)
binding citrate anion: Q71 (= Q67), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), A641 (≠ S643), S642 (= S644), R643 (= R645)
binding oxygen atom: D164 (= D160), H166 (= H162)
binding iron/sulfur cluster: H100 (= H96), D164 (= D160), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425)

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
60% identity, 98% coverage: 12:753/755 of query aligns to 45:777/780 of P20004

query
sites
P20004

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

N

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

Q

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

I

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

Q

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

R

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

V

F

E

T

N

D

G

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

K

A

H

G

G

I

I

G

R

T

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

H

H

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

K

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 8acnA

query
sites
8acnA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1fghA

query
sites
1fghA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

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G

F

I

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W

W

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E

L

L

K

K

F

C

P

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K

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I

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V

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K

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L

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T

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L

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W

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S

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K

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D

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V

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L

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K

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A

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V

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L

I

S

S

A

C

T

T

G

G

K

M

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

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A

M

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K

I

K

Y

Y

L

L

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G

K

T

T

G

G

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R

A

A

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D

I

I

A

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N

L

L

A

A

N

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V

D

H

H

L

L

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D

D

D

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C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

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F

Y

D

D

Q

Q

V

L

I

I

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E

I

I

D

N

L

L

D

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T

E

L

L

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K

P

P

H

H

I

I

N

N

G

G

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F

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D

D

L

L

A

A

W

H

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A

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K

H

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N

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W

W

P

P

A

L

K

D

L

I

E

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

T

G

R

R

A

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A

A

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A

L

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A

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Q

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I

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G

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G

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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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

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P

Q

D

G

A

I

D

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E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

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D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

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K

D

D

G

S

T

S

A

G

V

Q

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R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

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T

N

D

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S

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V

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N

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A

L

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Y

F

G

G

P

P

V

V

P

P

A

D

T

T

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A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1amjA

query
sites
1amjA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

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E

M

L

P

P

I

R

K

A

G

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F

F

A

D

V

P

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G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1amiA

query
sites
1amiA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1acoA

query
sites
1acoA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

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)

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
60% identity, 98% coverage: 12:753/755 of query aligns to 17:749/753 of 1nisA

query
sites
1nisA

Y

Y

S

D

N

L

L

L

E

E

S

K

R

N

I

I

E

D

A

I

A

V

K

R

K

K

V

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

S

G

H

H

L

L

W

-

N

D

G

D

N

P

A

A

E

N

E

Q

A

E

Y

I

C

E

R

R

G

G

T

K

S

T

Y

Y

V

L

D

R

F

L

A

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

P

P

Q

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

K

Q

I

L

G

G

A

G

T

E

E

K

D

D

L

L

E

R

I

R

A

A

N

K

N

D

T

I

N

N

K

Q

E

E

V

V

Y

Y

D

N

F

F

L

L

S

A

S

T

V

A

C

G

N

A

K

K

Y

Y

G

G

L

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

L

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

F

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

S

S

A

P

K

K

D

D

V

V

I

I

L

L

K

K

V

V

A

A

G

G

V

I

L

L

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

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

A

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

V

V

F

F

G

P

Y

Y

D

N

E

H

K

R

A

M

E

K

I

K

Y

Y

L

L

R

S

G

K

T

T

G

G

R

R

A

A

E

D

I

I

A

A

D

N

L

L

A

A

N

D

Q

E

V

F

S

K

V

D

H

H

L

L

T

V

G

P

D

D

D

S

E

G

V

C

Y

H

A

-

N

-

P

-

E

-

L

-

Y

-

F

Y

D

D

Q

Q

V

L

I

I

E

E

I

I

D

N

L

L

D

S

T

E

L

L

E

K

P

P

H

H

I

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

Q

E

F

V

A

G

A

S

A

V

V

A

K

E

E

K

H

E

N

G

W

W

P

P

A

L

K

D

L

I

E

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

T

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

N

G

L

L

I

K

A

C

K

K

A

S

E

Q

Y

F

T

T

V

I

T

T

P

P

G

G

S

S

E

E

L

Q

V

I

R

R

Y

A

T

T

V

I

E

E

R

R

D

D

G

G

Y

Y

L

A

D

Q

T

V

F

L

E

R

K

D

I

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

T

D

D

I

D

K

P

K

T

G

R

E

R

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

N

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

F

F

L

L

I

T

N

G

E

K

N

D

G

G

E

K

S

K

V

F

K

K

L

L

E

E

E

A

P

P

Q

D

G

A

I

D

E

E

M

L

P

P

I

R

K

A

G

E

F

F

A

D

V

P

E

G

D

Q

A

D

G

T

Y

Y

Q

Q

E

H

P

P

A

P

E

K

D

D

G

S

T

S

A

G

V

Q

E

R

V

V

L

D

V

V

D

S

E

P

K

T

S

S

S

Q

R

R

L

L

Q

Q

L

L

L

L

A

E

P

P

F

F

P

D

A

K

W

W

E

D

G

G

V

K

D

D

I

L

K

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

F

F

R
|
R

G

G

H

H

I

L

D

D

N

N

I

I

S

S

N

N

N

N

M

L

L

L

I

I

G

G

A

A

M

I

N

N

Y

S

F

E

T

N

D

R

Q

K

T

A

D

N

S

S

V

V

K

R

N

N

Q

A

L

V

T

T

G

Q

I

E

Y

F

G

G

P

P

V

V

P

P

A

D

T

T

Q

A

R

R

A

Y

Y

Y

K

K

A

Q

A

H

G

G

I

I

G

R

T

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

R

A

A

M

L

E

E

P

P

R

R

H

F

L

L

G

G

V

G

R

R

V

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

G

P

V

L

T

T

F

F

D

A

D

D

P

P

T

A

D

D

Y

Y

N

N

K

K

V

I

Q

H

E

P

N

V

D

D

I

K

I

L

D

T

I

I

E

Q

G

G

L

L

T

K

S

D

F

F

A

A

P

P

G

G

K

K

Q

P

L

L

H

T

V

C

V

I

L

I

H

K

H

H

E

P

D

N

G

G

K

T

S

Q

E

E

S

T

F

I

A

L

V

L

N

N

H

H

T

T

Y

F

N

N

Q

E

Q

T

Q

Q

I

I

E

E

W

W

F

F

K

R

A

A

G

G

A

S

A

A

L

L

N

N

I

-

I

-

R

R

M

M

K

K

Q

E

active site: D99 (= D95), H100 (= H96), D164 (= D160), R446 (= R448), S641 (= S643), R643 (= R645)
binding 2-hydroxy-2-nitromethyl succinic acid: Q71 (= Q67), H100 (= H96), D164 (= D160), S165 (= S161), R446 (= R448), R451 (= R453), R579 (= R581), S641 (= S643), S642 (= S644)
binding iron/sulfur cluster: H100 (= H96), I144 (= I140), H166 (= H162), S356 (= S358), C357 (= C359), C420 (= C422), C423 (= C425)

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: 14:754/755 of query aligns to 44:777/778 of P19414

query
sites
P19414

N

N

L

V

E

E

S

T

R

-

I

L

E

D

A

I

A

V

K

R

K

K

V

R

V

L

G

N

K

R

P

P

L

F

T

T

L

Y

T

A

E

E

K

K

I

I

L

L

Y

Y

S

G

H

H

L

L

W

D

N

D

G

P

N

H

A

G

E

Q

E

D

A

I

Y

Q

C

-

R

R

G

G

T

V

S

S

Y

Y

V

L

D

K

F

L

A

R

P

P

D

D

R

R

V

V

A

A

M

C

Q

Q

D

D

A

A

T

T

A

A

Q

Q

M

M

A

A

L

I

L

L

Q

Q

F

F

M

M

Q

S

A

A

G

G

R

L

P

P

Q

Q

V

V

A

A

V

K

P

P

S

V

T

T

V

V

H

H

C

C

D

D

H

H

L

L

I

I

Q

Q

A

A

K

Q

I

V

G

G

A

G

T

E

E

K

D

D

L

L

E

K

I

R

A

A

N

I

N

D

T

L

N

N

K

K

E

E

V

V

Y

Y

D

D

F

F

L

L

S

A

S

S

V

A

C

T

N

A

K

K

Y

Y

G

N

L

M

G

G

F

F

W

W

K

K

P

P

G

G

A

S

G

G

I

I

I

I

H

H

Q

Q

V

I

V

V

L

L

E

E

N

N

Y

Y

A

A

F

F

P

P

G

G

G

A

L

L

M

I

I

I

G

G

T

T

D

D

S

S

H

H

T

T

P

P

N

N

A

A

G

G

G

G

L

L

G

G

M

Q

I

L

A

A

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

F

R

A

P

W

W

E

E

L

L

K

K

F

A

P

P

K

K

L

I

I

L

G

G

V

V

K

K

L

L

T

T

G

G

K

K

L

M

S

N

G

G

W

W

T

T

S

S

A

P

K

K

D

D

V

I

I

I

L

L

K

K

V

L

A

A

G

G

V

I

L

T

T

T

V

V

K

K

G

G

G

G

T

T

G

G

C

K

I

I

V

V

E

E

Y

Y

F

F

G

G

E

D

G

G

A

V

R

D

S

T

L

F

S

S

A

A

T

T

G

G

K

M

A

G

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

V

V

F

F

G

P

Y

F

D

N

E

K

K

S

A

M

E

I

I

E

Y

Y

L

L

R

E

G

A

T

T

G

G

R

R

A

G

E

K

I

I

A

A

D

D

L

F

A

A

N

K

Q

-

V

-

S

-

V

-

H

-

L

L

T

Y

G

H

D

K

D

D

E

L

V

L

Y

S

A

A

N

D

P

K

E

D

L

A

Y

E

F

Y

D

D

Q

E

V

V

I

V

E

E

I

I

D

D

L

L

D

N

T

T

L

L

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E

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P

H

Y

I

I

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N

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G

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P

F

F

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D

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L

A

A

W

T

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P

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S

Q

K

F

M

A

K

A

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V

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N

N

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W

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G

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L

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Y

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V

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L

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A

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N

A

A

C

C

G

G

P

P

C

C

I

I

G

G

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Q

W

W

A

D

R

R

H

R

T

D

D

I

D

K

P

K

T

G

R

D

R

K

N

N

S

T

I

I

I

V

T

S

S

S

F

Y

N

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R

R

N

N

F

F

A

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K

S

R

R

N

N

D

D

G

G

N

N

P

P

N

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T

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H

H

A

A

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F

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V

A

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V

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N

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W

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D

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I

A

K

K

G

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L

M

K

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L

I

L

L

I

I

K

K

A

A

K

V

G

G

K

K

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T

T

T

T

D

D

H

H

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I

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M

M

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|
R

G

G

H

H

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N

N

I

I

S

S

N

N

N

N

M

Y

L

M

I

I

G

G

A

A

M

I

N

N

Y

A

F

E

T

N

D

K

Q

K

T

A

D

N

S

C

V

V

K

K

N

N

Q

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L

Y

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G

G

I

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Y

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G

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G

I

I

G

K

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I

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V

V

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G

D

D

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N

N

Y

F

G

G

E

E

G

G

S

S

S

S

R

R

E

E

H

H

A

A

A

A

M

L

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P

P

R

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L

L

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G

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G

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I

L

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K

S

S

F

F

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A

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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

V

L

T

N

F

F

D

K

D

N

P

P

T

A

D

D

Y

Y

N

D

K

K

V

I

Q

N

E

P

N

D

D

D

I

R

I

I

D

D

I

I

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L

G

G

L

L

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A

S

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F

L

A

A

P

P

G

G

K

K

Q

P

L

V

H

T

V

M

V

R

L

V

H

H

H

P

E

K

D

N

G

G

K

K

S

P

E

W

S

D

F

A

A

V

V

L

N

T

H

H

T

T

Y

F

N

N

Q

D

Q

E

Q

Q

I

I

E

E

W

W

F

F

K

K

A

Y

G

G

A

S

A

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L

L

N

N

I

K

I

I

R

K

M

A

K

D

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K

R604 (= R581) 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

P39533 Homocitrate dehydratase, mitochondrial; Aconitase 2; EC 4.2.1.- from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
53% identity, 98% coverage: 12:749/755 of query aligns to 35:782/789 of P39533

query
sites
P39533

Y

Y

S

A

N

K

L

L

E

L

S

T

R

N

I

L

E

D

A

K

A

I

K

K

K

Q

V

I

V

T

G

N

K

N

-

A

P

P

L

L

T

T

L

L

T

A

E

E

K

K

I

I

L

L

Y

Y

S

S

H

H

L

L

W

C

N

D

-

P

-

E

-

E

-

S

-

I

G

T

N

S

A

S

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D

E

L

A

S

Y

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C

I

R

R

G

G

T

N

S

K

Y

Y

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L

D

K

F

L

A

N

P

P

D

D

R

R

V

V

A

A

M

M

Q

Q

D

D

A

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A

A

Q

Q

M

M

A

A

L

L

L

L

Q

Q

F

F

M

M

Q

T

A

T

G

G

R

L

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N

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Q

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V

V

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H

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C

C

D

D

H

H

L

L

I

I

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A

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K

K

I

D

G

G

A

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T

T

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K

D

D

L

L

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P

I

S

A

S

N

I

N

A

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T

N

N

K

Q

E

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V

Y

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D

D

F

F

L

L

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C

C

A

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K

K

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Y

Y

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G

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I

G

Q

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F

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W

K

G

P

P

G

G

A

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G

G

I

I

I

I

H

H

Q

Q

V

I

V

V

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L

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N

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P

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G

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M

M

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N

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V

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A

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V

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N

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N

W

W

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P

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K

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V

A

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G

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L

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I

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L

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K

K

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L

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G

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L

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N

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C

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A

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R

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D

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D

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P

K

T

T

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S

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K

-

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-

T

N

N

S

T

I

I

I

F

T

T

S

S

F

F

N

N

R

R

N

N

F

F

A

R

K

A

R

R

N

N

D

D

G

G

N

N

P

R

N

N

T

T

H

M

A

N

F

F

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L

A

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S

P

P

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I

I

V

V

T

T

A

A

L

M

A

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I

Y

A

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G

G

D

D

L

A

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Q

F

F

N

N

P

P

L

L

T

T

D

D

F

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L

I

I

K

N

L

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N

N

G

G

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K

S

D

V

F

K

K

L

F

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Q

E

P

P

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G

G

I

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M

L

P

P

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K

K

R

G

G

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F

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V

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R

D

D

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K

G

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Y

Y

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M

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L

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F

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W

W

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G

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D

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L

K

K

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L

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K

N

L

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L

L

I

L

K

K

A

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K

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G

G

K

K

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C

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T

T

T

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D

H

H

I

I

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S

M

A

A

A

G

G

P

V

W

W

L

L

K

K

F

Y

R
x
K

G

G

H

H

I

L

D

E

N

N

I

I

S

S

N

Y

N

N

M

T

L

L

I

I

G

G

A

A

M

Q

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N

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K

F

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D

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S

K

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D

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L

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G

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P

D

V

I

P

P

A

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L

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M

R

M

A

K

Y

W

K

K

A

S

A

D

G

G

I

R

G

P

T

W

I

T

V

V

V

I

G

A

D

E

E

H

N

N

Y

Y

G

G

E

E

G

G

S

S

S

A

R

R

E

E

H

H

A

A

A

A

M

L

E

S

P

P

R

R

H

F

L

L

G

G

V

G

R

E

V

I

I

L

L

L

V

V

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

V

L

L

G

P

V

L

T

T

F

F

D

A

D

N

P

E

T

S

D

D

Y

Y

N

D

K

K

V

I

Q

S

E

S

N

G

D

D

I

V

I

L

D

E

I

T

E

L

G

N

L

L

T

V

S

D

F

M

A

I

P

A

-

K

-

D

-

G

-

N

-

N

G

G

K

G

Q

E

L

I

H

D

V

V

V

K

L

I

H

T

H

K

E

P

D

N

G

G

K

E

S

S

E

F

S

T

F

I

A

K

V

A

N

K

H

H

T

T

Y

M

N

S

Q

K

Q

D

Q

Q

I

I

E

D

W

F

F

F

K

K

A

A

G

G

A

S

A

A

L

I

N

N

I

Y

I

I

K610 (≠ R581) mutation to R: Reduces catalytic activity towards homoaconitate by 45% and increases the activity towards aconitate by a factor 116.

P09339 Aconitate hydratase A; ACN; Aconitase; Aconitate/2-methylaconitate hydratase; Iron-responsive protein-like; IRP-like; RNA-binding protein; EC 4.2.1.3; EC 4.2.1.- from Bacillus subtilis (strain 168) (see 2 papers)
29% identity, 92% coverage: 57:753/755 of query aligns to 86:908/909 of P09339

query
sites
P09339

V

V

D

P

F

F

A

K

P

P

D

S

R

R

V

V

A

I

M

L

Q

Q

D

D

A

F

T

T

A

G

Q

V

M

P

A

A

L

V

L

V

Q

D

F

L

M

A

Q

S

A

L

G

R

R

K

P

A

Q

M

V

A

A

A

V

V

-

G

-

G

-

D

-

P

-

D

-

K

-

I

-

N

-

P

-

E

-

I

P

P

S

V

T

D

V

L

H

V

C

I

D

D

H

H

L

S

I

V

Q

Q

A

V

K

D

I

K

G

A

A

G

T

T

E

E

D

D

-

A

-

L

-

A

-

V

-

N

L

M

E

D

I

L

A

E

N

F

N

E

T

R

N

N

K

A

E

E

V

R

Y

Y

D

K

F

F

L

L

S

S

-

W

-

A

-

K

S

K

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A

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Q

C450 (= C359) mutation to S: Loss of aconitase activity. It is glutamate auxotroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of inactive aconitase.
R741 (vs. gap) mutation to E: Same aconitase activity compared to the wild-type. It is glutamate prototroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of active aconitase.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2b3xA Structure of an orthorhombic crystal form of human cytosolic aconitase (irp1) (see paper)
28% identity, 92% coverage: 57:752/755 of query aligns to 75:885/888 of 2b3xA

query
sites
2b3xA

V

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active site: D124 (= D95), H125 (= H96), D204 (= D160), R535 (= R448), S777 (= S643), R779 (= R645)
binding iron/sulfur cluster: I175 (= I140), H206 (= H162), C436 (= C359), C502 (= C422), C505 (= C425), I506 (= I426), N534 (= N447)

P21399 Cytoplasmic aconitate hydratase; Aconitase; Citrate hydro-lyase; Ferritin repressor protein; Iron regulatory protein 1; IRP1; Iron-responsive element-binding protein 1; IRE-BP 1; EC 4.2.1.3 from Homo sapiens (Human) (see 2 papers)
28% identity, 92% coverage: 57:752/755 of query aligns to 76:886/889 of P21399

query
sites
P21399

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C300 (≠ G255) mutation to S: No effect on aconitase activity or on RNA binding.
T318 (≠ I273) to M: in dbSNP:rs150373174
C437 (= C359) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C503 (= C422) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
C506 (= C425) mutation to S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
R536 (= R448) mutation to Q: Strongly reduced RNA binding.
R541 (= R453) mutation to Q: Strongly reduced RNA binding.
R699 (≠ N590) mutation to K: No effect on RNA binding.
S778 (= S643) mutation to A: No effect on iron-regulated RNA binding. Loss of aconitase activity.
R780 (= R645) mutation to Q: Nearly abolishes RNA binding.

Q9SIB9 Aconitate hydratase 3, mitochondrial; Aconitase 3; mACO1; Citrate hydro-lyase 3; EC 4.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
27% identity, 91% coverage: 57:746/755 of query aligns to 172:980/990 of Q9SIB9

query
sites
Q9SIB9

V

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Sites not aligning to the query:

91 modified: Phosphoserine

3snpA Crystal structure analysis of iron regulatory protein 1 in complex with ferritin h ire RNA (see paper)
28% identity, 92% coverage: 57:752/755 of query aligns to 75:847/850 of 3snpA

query
sites
3snpA

V

V

D

P

F

F

A

K

P

P

D

A

R

R

V

V

A

I

M

L

Q

Q

D

D

A

F

T

T

A

G

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V

M

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A

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L

V

L

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-

Q

A

A

A

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R

R

P

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A

V

V

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V

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-

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K

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I

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N

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D

I

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A

L

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x
D

A
x
H

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x
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-

L

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I

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N

F

N

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K

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L

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G

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I

I

I

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H

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Q

V

V

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L

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Y

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L

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I

V

G

G

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D
|
D

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H
|
H

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N

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A

I

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G

G

L

L

G

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M

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|
L

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R

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G

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G

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A

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Q

L

L

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S

A

I

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A

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D

K

R

A

A

T

T

I

I

C

A

N
|
N

M

M

G

C

A

P

E
|
E

I

Y

G

G

A

A

T

T

T

A

S

T

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F

F

F

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P

Y

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D

D

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Q

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V

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I

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|
P

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|
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|
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|
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|
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|
S

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A

A

A

A

M

K

E

G

P

P

R

F

H

L

L

L

G

G

V

I

R

K

V

A

I

V

L

L

V

A

K

E

S

S

F

Y

A

E

R

R

I

I

H

H

E

R

T

S

N

N

L

L

K

V

K

G

Q

M

G

G

M

V

L

I

G

P

V

L

T

E

F

Y

-

L

-

P

-

G

-

E

-

N

D

A

D

D

P

S

T

L

D

G

Y

L

N

T

K

G

V

R

Q

E

E

R

N

Y

D

T

I

I

I

I

D

I

I

P

E

E

G

N

L

L

T

T

S

P

F

-

A

-

P

-

G

-

K

-

Q

R

L

M

H

H

V

V

V

Q

L

V

H

K

H

L

E

D

D

T

G

G

K

K

S

T

E

F

S

Q

F

-

A

A

V

V

N

I

H

R

T

F

Y

D

N

T

Q

D

Q

V

Q

E

I

L

E

T

W

Y

F

F

K

H

A

N

G

G

A

G

A

I

L

L

N

N

I

Y

I

M

R

I

M

R

K

K

active site: D124 (≠ G103), H125 (≠ A104), D186 (= D160), R505 (= R448), S739 (= S643), R741 (= R645)
binding : H125 (≠ A104), S126 (≠ T105), H188 (= H162), L243 (= L217), R250 (≠ T224), N279 (= N253), E283 (= E257), S352 (≠ N324), P357 (= P329), K360 (≠ A332), T419 (= T360), N420 (= N361), T421 (≠ S362), N504 (= N447), R505 (= R448), L520 (≠ V464), S642 (= S572), P643 (≠ M573), A644 (= A574), G645 (= G575), N646 (≠ P576), R649 (≠ K579), R665 (vs. gap), S669 (vs. gap), G671 (vs. gap), R674 (vs. gap), R741 (= R645)

O14289 3-isopropylmalate dehydratase; Alpha-IPM isomerase; IPMI; Isopropylmalate isomerase; EC 4.2.1.33 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
25% identity, 89% coverage: 29:697/755 of query aligns to 3:673/758 of O14289

query
sites
O14289

P

P

L

S

T

V

L

A

T

S

E

P

K

K

I

T

L

L

Y

Y

S

D

H

K

L

V

W

W

N

D

G

S

N

H

A

V

E

V

E

D

A

L

Y

Q

C

E

R

D

G

G

T

T

S

C

Y

L

V

L

D

Y

F

I

A

-

P

-

D

D

R

R

V

H

A

L

M

I

Q

H

D

E

A

V

T

T

A

S

Q

P

M

Q

A

A

L

F

L

E

Q

G

F

L

M

R

Q

T

A

A

G

G

R

R

-

K

-

V

-

R

-

H

P

P

Q

E

V

L

A

A

V

L

P

-

S

-

T

-

V

-

H

-

C

-

D

-

H

-

L

-

I

-

Q

-

A

-

K

-

I

-

G

-

A

A

T

T

E

V

D

D

L

H

E

N

I

I

A

P

N

T

N

D

T

P

N

R

K

K

E

D

V

M

Y

K

D

D

F

I

L

A

S

S

S

F

V

I

-

H

-

Q

-

P

-

D

-

S

-

R

-

T

-

Q

-

V

-

L

-

A

-

L

-

E

-

N

-

N

C

I

N

K

K

E

Y

F

G

G

L

L

G

T

F

Y

W

Y

-

G

-

M

-

N

K

D

P

R

G

R

A

Q

G

G

I

I

I

V

H

H

Q

V

V

I

V

G

L

P

E

E

N

Q

-

G

Y

F

A

T

F

L

P

P

G

G

G

T

L

T

M

L

I

V

G

C

T

G

D

D

S

S

H

H

T

T

P

S

N

T

A

H

G

G

G

A

L

F

G

G

M

A

I

L

A

A

I

F

G

G

V

I

G

G

G

T

A

S

D

E

A

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C

E

D

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V

V

M

L

A

A

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F

Q

A

T

W

I

E

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F

K

P

S

K

K

L

N

I

M

G

R

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I

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R

L

V

T

N

G

G

K

K

L

L

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P

G

E

W

G

T

I

S

A

A

S

K

K

D

D

V

L

I

I

L

L

K

H

V

I

A

I

G

G

V

V

L

I

T

G

V

T

K

A

G

G

G

G

T

T

G

G

C

S

I

V

V

I

E

E

Y

F

F

C

G

G

E

E

G

A

A

I

R

E

S

G

L

L

S

S

A

M

T

E

G

A

K

R

A

M

T

S

I

M

C

C

N

N

M

M

G

S

A

I

E

E

I

A

G

G

A

A

T

R

T

A

S

G

V

M

F

I

G

A

Y

P

D

D

E

A

K

T

A

T

E

F

I

E

Y

Y

L

V

R

K

G

N

T

R

G

P

R

L

A

A

E

P

I

K

A

G

D

D

L

D

A

W

N

E

Q

Q

V

A

S

V

V

A

H

Y

L

W

T

K

G

-

D

-

D

-

E

T

V

L

Y

R

A

S

N

D

P

E

E

N

L

A

Y

K

F

Y

D

D

Q

I

V

E

I

V

E

E

I

I

D

N

L

A

D

A

T

D

L

V

E

L

P

P

H

T

I

V

N

T

G

W

P

G

F

T

T

S

P

P

D

Q

L

D

A

V

W

I

P

P

I

I

S

N

-

G

-

N

-

I

Q

P

F

D

A

P

A

A

A

H

V

V

K

K

E

D

H

N

N

V

W

R

P

A

A

A

K

S

L

I

E

Q

V

R

G

S

L

L

-

E

-

Y

-

M

-

G

-

L

-

K

-

P

-

N

-

T

-

S

-

I

-

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-

S

-

Y

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P

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I

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D

-

K

-

V

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F

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I

G

G

S

S

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C

T

T

N

N

S

S

S

R

Y

I

E

E

D

D

I

L

T

R

R

L

A

A

A

A

S

A

L

V

A

V

Q

K

-

G

Q

R

A

K

V

V

D

A

K

A

N

N

L

V

I

-

A

-

K

-

A

K

E

D

Y

A

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M

V

I

T

V

P

P

G

G

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S

E

G

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L

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V

R

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Y

K

T

M

V

A

E

E

R

A

D

E

G

G

Y

L

L

D

D

Q

T

I

F

F

E

I

K

E

I

A

G

G

G

F

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D

V

W

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R

A

E

N

A

A

G

C

C

G

S

P

M

C

C

I

L

G

G

Q

M

W

-

A

-

R

-

H

N

T

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D

D

D

Q

P

L

T

K

R

P

R

Y

N

E

S

R

I

C

I

A

T

S

S

T

F

S

N

N

R

R

N

N

F

F

A

E

K

G

R

R

N

Q

D

G

G

A

N

K

P

G

N

R

T

T

H

H

A

-

F

-

V

L

A

V

S

S

P

P

E

A

I

M

V

A

T

A

A

A

L

A

A

A

I

I

A

K

G

G

D

H

L

L

-

C

-

N

-

V

-

R

-

E

-

F

-

F

-

G

-

D

T

V

F

S

N

N

P

G

L
x
S

T

P

D
x
S

F

I

L

I

I

T

N

N

E

K

N

N

G

-

E

-

S

-

V

-

K

-

L

Y

E

D

E

P

P

S

Q

H

G

D

I

V

E

E

M

G

P

D

I

I

K

-

G

G

F

L

A

S

V

V

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D

D

D

A

A

G

T

Y

D

Q

A

E

V

P

T

A

D

E

A

D

D

G

G

T

I

A

A

V

T

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N

V

V

L

-

V

A

D

G

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S

K

V

S

S

S

S

R

G

L

S

Q

A

L

G

L

I

A

P

P

K

F

F

P

T

A

V

W

V

E

E

G

G

V

I

D

-

I

A

K

A

G

P

L

L

K

P

L

M

L

-

I

-

K

-

A

-

K

-

G

A

K

N

C

V

T

D

T

T

D

D

H

K

I

I

S

-

M

I

A

P

G

K

P

Q

W

F

L

L

K

K

F

-

R

-

G

-

H

-

I

-

D

-

N

T

I

I

S

K

N

R

N

T

M

G

L

L

I

-

G

G

A

Q

M

F

N

A

Y

F

F

Y

T

E

D

I

Q

R

T

Y

D

D

S

A

V

D

K

G

N

K

Q

E

L

I

T

P

G

D

I

F

Y

V

G

-

P

-

V

-

P

-

A

L

T

N

Q

R

R

E

A

P

Y

Y

K

R

A

H

A

A

G

-

I

-

G

-

T

T

I

V

V

L

V

V

G

A

D

H

E

D

N

N

Y

F

G

G

E

C

G

G

S

S

S

S

R

R

E

E

H

H

A

A

A

P

M

W

E

A

P

L

R

N

H

D

L

F

G

G

V

I

R

R

V

V

I

I

L

I

V

A

K

P

S

S

F

F

A

A

R

D

I

I

H

F

E

F

T

N

N

N

L

C

K

F

K

K

Q

N

G

G

M

M

L

L

G

P

V

I

-

P

-

T

T

P

F

I

D

E

D

Q

P

V

T

N

D

D

Y

M

N

M

K

K

V

A

Q

A

E

E

N

N

D

Q

I

V

S486 (≠ L484) modified: Phosphoserine
S488 (≠ D486) modified: Phosphoserine

4nqyA The reduced form of mj0499 (see paper)
28% identity, 46% coverage: 133:480/755 of query aligns to 80:405/409 of 4nqyA

query
sites
4nqyA

F

F

W

Y

K

D

P

I

G

R

A

E

G

G

I

V

I

C

H

H

Q

Q

V

V

V

L

L

P

E

E

N

K

-

G

Y

H

A

V

F

A

P

P

G

G

G

E

L

V

M

V

I

V

G

G

T

A

D
|
D

S

S

H

H

T

T

P

C

N

T

A

H

G

G

G

A

L

F

G

G

M

A

I

F

A

A

I

T

G

G

V

I

G

G

G

S

A

T

D

D

A

M

C

A

D

H

V

V

M

F

A

A

G

T

F

G

A

K

W

L

E

W

L

F

K

K

F

V

P

P

K

E

L

T

I

I

G

Y

V

F

K

N

L

I

T

T

G

G

K

D

L

L

S

Q

G

P

W

Y

T

V

S

T

A

S

K

K

D

D

V

V

I

I

L

L

K

S

V

I

A

I

G

G

V

E

L

V

T

G

V

V

K

D

G

G

G

A

T

T

G

Y

C

K

I

A

V

C

E

Q

Y

F

F

G

G

G

E

E

G

T

A

V

R

K

S

K

L

M

S

S

A

I

T

A

G

S

K

R

A

M

T

T

I

M

C

T

N

N

M

M

G

A

A

I

E

E

I

M

G

G

A

G

T

K

T

T

S

G

V

I

F

I

G

E

Y

P

D

D

E

E

K

K

A

T

E

I

I

Q

Y

Y

L

V

R

K

G

E

T

A

G

M

R

K

A

K

E

H

I

G

A

T

D

E

L

R

A

P

N

F

Q

E

V

V

S

-

V

-

H

-

L

I

T

K

G

G

D

D

D

E

E

D

V

A

Y

-

A

-

N

-

P

-

E

-

L

-

Y

E

F

F

D

A

Q

E

V

V

I

Y

E

E

I

I

D

E

L

A

D

D

T

K

L

I

E

E

P

P

H

V

I

F

N

A

G

C

P

P

F

H

T

N

P

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D

D

L

N

A

V

W

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P

Q

I

A

S

R

Q

E

F

V

A

A

A

G

A

-

V

-

K

-

E

-

H

-

N

-

W

-

P

-

A

K

K

P

L

I

E

D

V

Q

G

V

L

F

I

I

G

G

S

S

C

C

T

T

N

N

S

G

S

R

Y

L

E

E

D

D

I

L

T

R

R

M

A

A

A

I

S

K

L

I

A

I

Q

E

Q

K

A

-

V

-

D

H

K

G

N

G

L

I

I

A

A

D

K

D

A

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E

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Y

V

T

V

V

V

T

T

P

P

G

A

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L

E

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E

R

Y

Y

L

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V

A

E

L

R

K

D

E

G

G

Y

I

L

I

D

E

T

K

F

F

E

L

K

K

I

Y

G

G

G

C

V

V

V

V

L

T

A

N

N

P

A

S

C
|
C

G

S

P

A

C
|
C

I

M

G

G

Q

S

W

L

A

-

R

Y

H

G

T

V

D

L

D

G

P

P

T

G

R

E

R

-

N

-

S

V

I

C

I

V

T

S

S

T

F

S

N

N

R
|
R

N

N

F

F

A

R

K

G

R

R

N

Q

D

-

G

G

N

S

P

L

N

E

T

A

H

E

A

I

F

Y

V

L

A

A

S

S

P

P

E

I

I

T

V

A

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A

A

A

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C

A

A

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A

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G

G

D

E

L

L

T

V

active site: D108 (= D160), R374 (= R448)
binding zinc ion: C351 (= C422), C354 (= C425)

Sites not aligning to the query:

active site: 63

4kp1A Crystal structure of ipm isomerase large subunit from methanococcus jannaschii (mj0499) (see paper)
28% identity, 46% coverage: 133:480/755 of query aligns to 93:418/423 of 4kp1A

query
sites
4kp1A

F

F

W

Y

K

D

P

I

G

R

A

E

G

G

I

V

I

C

H

H

Q

Q

V

V

V

L

L

P

E

E

N

K

-

G

Y

H

A

V

F

A

P

P

G

G

G

E

L

V

M

V

I

V

G

G

T

A

D
|
D

S

S

H

H

T

T

P

C

N

T

A

H

G

G

G

A

L

F

G

G

M

A

I

F

A

A

I

T

G

G

V

I

G

G

G

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A

T

D

D

A

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C

A

D

H

V

V

M

F

A

A

G

T

F

G

A

K

W

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E

W

L

F

K

K

F

V

P

P

K

E

L

T

I

I

G

Y

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F

K

N

L

I

T

T

G

G

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D

L

L

S

Q

G

P

W

Y

T

V

S

T

A

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active site: D121 (= D160), R387 (= R448)
binding 2,4-dimethylpentane-2,4-diol: F299 (≠ L355), S302 (= S358), S383 (≠ T444), F389 (= F450)
binding magnesium ion: C303 (= C359), T304 (= T360), R387 (= R448)

Sites not aligning to the query:

active site: 64, 65

Query Sequence

>WP_016194830.1 NCBI__GCF_000403135.1:WP_016194830.1
MAFDIEMIQKVYSNLESRIEAAKKVVGKPLTLTEKILYSHLWNGNAEEAYCRGTSYVDFA
PDRVAMQDATAQMALLQFMQAGRPQVAVPSTVHCDHLIQAKIGATEDLEIANNTNKEVYD
FLSSVCNKYGLGFWKPGAGIIHQVVLENYAFPGGLMIGTDSHTPNAGGLGMIAIGVGGAD
ACDVMAGFAWELKFPKLIGVKLTGKLSGWTSAKDVILKVAGVLTVKGGTGCIVEYFGEGA
RSLSATGKATICNMGAEIGATTSVFGYDEKAEIYLRGTGRAEIADLANQVSVHLTGDDEV
YANPELYFDQVIEIDLDTLEPHINGPFTPDLAWPISQFAAAVKEHNWPAKLEVGLIGSCT
NSSYEDITRAASLAQQAVDKNLIAKAEYTVTPGSELVRYTVERDGYLDTFEKIGGVVLAN
ACGPCIGQWARHTDDPTRRNSIITSFNRNFAKRNDGNPNTHAFVASPEIVTALAIAGDLT
FNPLTDFLINENGESVKLEEPQGIEMPIKGFAVEDAGYQEPAEDGTAVEVLVDEKSSRLQ
LLAPFPAWEGVDIKGLKLLIKAKGKCTTDHISMAGPWLKFRGHIDNISNNMLIGAMNYFT
DQTDSVKNQLTGIYGPVPATQRAYKAAGIGTIVVGDENYGEGSSREHAAMEPRHLGVRVI
LVKSFARIHETNLKKQGMLGVTFDDPTDYNKVQENDIIDIEGLTSFAPGKQLHVVLHHED
GKSESFAVNHTYNQQQIEWFKAGAALNIIRMKQEF

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory