SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043529746.1 NCBI__GCF_000759345.1:WP_043529746.1 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 16 hits to proteins with known functional sites (download)

9jpiA The complex structure of dhad with aspterric acid (aa). (see paper)
53% identity, 98% coverage: 9:558/563 of query aligns to 16:569/570 of 9jpiA

query
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9jpiA

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D

binding fe2/s2 (inorganic) cluster: C62 (= C55), A95 (≠ G88), C135 (= C128), D136 (= D129), A206 (≠ S196), C207 (= C197)
binding Aspterric Acid: D94 (= D87), R101 (≠ E94), C104 (≠ K97), D136 (= D129), I173 (= I163), F177 (= F167), Y211 (= Y201), T212 (= T202), E459 (= E448), S485 (= S474), K546 (≠ R535)
binding magnesium ion: D94 (= D87), D136 (= D129), K137 (= K130), E459 (= E448)

Q9LIR4 Dihydroxy-acid dehydratase, chloroplastic; AthDHAD; DAD; EC 4.2.1.9 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
53% identity, 98% coverage: 9:558/563 of query aligns to 54:607/608 of Q9LIR4

query
sites
Q9LIR4

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C100 (= C55) binding [2Fe-2S] cluster
C173 (= C128) binding [2Fe-2S] cluster
D174 (= D129) binding Mg(2+)
C245 (= C197) binding [2Fe-2S] cluster
E497 (= E448) binding Mg(2+)

8hs0A The mutant structure of dhad v178w (see paper)
53% identity, 98% coverage: 9:558/563 of query aligns to 16:569/570 of 8hs0A

query
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8hs0A

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P

P

G

G

-

H

-

F

-

Q

E

D

N

K

H

T

T

Y

D

D

I

I

V

W

S

S

V

A

F

F

E

Q

A

S

V

Y

G

G

Q

E

H

F

A

V

K

S

G

G

D

S

L

I

D

S

L

D

I

E

A

Q

V

R

K

K

H

T

I

V

E

L

E

H

T

H

A

S

I

C

P

P

G

G

P

A

G

G

S

A

C
|
C

G

G

G

G

M

M

Y

Y

T

T

A

A

N

N

S

T

M

M

A

A

S

S

A

A

I

I

E

E

A

A

L

M

G

G

M

M

S

S

L

L

P

P

G

Y

S

S

S

S

A

S

Q

I

N

P

A

A

V

E

S

D

R

P

A

L

K

K

H

L

D

D

D

E

C

C

E

R

A

L

A

A

G

G

A

K

A

Y

V

L

L

L

E

E

L

L

L

L

E

K

R

M

D

D

I

L

K

K

P

P

S

R

D

D

I

I

M

I

T

T

R

P

K

K

A

S

F

L

E

R

N

N

A

A

I

M

T

V

V

S

V

V

I

M

A

A

L

L

G

G

G

G

S

S

T

T

N
|
N

A

A

V

V

L

L

H
|
H

L

L

I

I

A

A

M

I

A

A

N

R

T

S

I

V

G

G

V

L

P

E

L

L

S

T

L

L

E

D

D

D

F

F

T

Q

E

K

I

V

G

S

R

D

R

A

V

V

P

P

V

F

V

L

A

A

D

D

L

L

R

K

P

P

S

S

G

G

H

K

Y

Y

M

V

M

M

S

E

E

D

L

I

V

H

E

K

I

I

G

G

G

G

I

T

Q

P

P

A

L

V

M

L

K

R

T

Y

L

L

L

L

D

E

A

L

G

G

L

L

L

M

H

D

G

G

D

D

C

C

L

M

T

T

V

V

T

T

G

G

R

Q

T

T

L

L

A

A

E

Q

N

N

L

L

A

E

N

N

V

V

A

P

P

S

Y

L

P

T

A

E

E

G

Q

Q

Q

E

I

I

I

I

A

R

P

P

L

L

D

S

R

N

P

P

F

I

K

K

A

E

E

T

S

G

H

H

L

I

R

Q

I

I

L

L

Y

R

G

G

N

D

L

L

A

A

P

P

E

D

G

G

G

S

V

V

A

A

K

K

I

I

T

T

G

G

K

K

E

E

G

G

T

L

R

Y

F

F

T

S

G

G

T

P

A

A

R

L

V

V

F

F

G

E

S

G

E

E

E

E

E

S

A

M

Q

L

A

A

R

A

I

I

-

S

L

A

D

D

G

P

T

M

V

S

V

F

A

K

G

G

D

T

V

V

L

V

V

V

I

I

R

R

Y

G

E

E

G

G

P

P

R

K

G

G

G

G

P

P

G

G

M

M

R

P

E

E

M

M

L

L

S

T

P

P

T

T

S

S

A

A

I

I

M

M

G

G

R

A

G

G

L

L

G

G

S

K

D

E

V

C

A

A

L

L

I

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

S

S

H

H

G

G

F

F

V

V

V

V

G

G

H

H

I

I

T

C

P

P

E

E

A

A

Y

Q

D

E

G

G

G

G

P

P

I

I

A

G

L

L

V

I

H

K

D

N

G

G

D

D

E

I

I

I

T

T

I

I

D

D

A

I

E

G

A

A

D

A

T

R

I

I

E

D

V

T

N

Q

V

V

S

S

D

P

E

E

E

E

L

M

M

N

R

D

R

R

R

R

A

K

A

K

W

W

Q

T

K

A

P

P

T

A

P

Y

R

K

Y

V

A

N

R

R

G

G

A

V

L

L

A

Y

K

K

Y

Y

A

I

R

K

T

N

V

V

S

Q

S

S

A

A

S

S

T

D

G

G

A

C

V

V

T

T

D

D

binding fe2/s2 (inorganic) cluster: C62 (= C55), D94 (= D87), A95 (≠ G88), C135 (= C128), D136 (= D129), C207 (= C197)
binding magnesium ion: D136 (= D129), K137 (= K130), N285 (= N275), H289 (= H279)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
54% identity, 98% coverage: 7:556/563 of query aligns to 19:573/575 of P9WKJ5

query
sites
P9WKJ5

P

P

R

R

R

S

R

R

Y

-

S

-

S

-

P

D

V

V

V

T

D

D

G

G

L

L

G

E

K

K

S

A

A

A

S

A

R

R

A

G

M

M

L

L

R

R

A

A

V

V

G

G

F

M

T

D

D

D

E

E

D

D

F

F

R

A

K

K

P

P

Q

Q

V

I

G

G

I

V

A

A

S

S

T

S

W

W

S

N

R

E

V

I

T

T

P

P

C
|
C

N

N

S

L

H

S

I

L

H

D

E

R

L

L

A

A

E

N

A

A

A

V

S

K

G

E

G

G

A

V

D

F

A

S

A

A

G

G

G

G

K

Y

G

P

V

L

I

E

F

F

N

G

T

T

I

I

T

S

I

V

S

S

D
|
D

G

G

I

I

A

S

N

M

G

G

T

H

E

E

G

G

M

M

K

H

Y

F

S

S

L

L

V

V

S

S

R

R

E

E

V

V

I

I

A

A

D

D

S

S

I

V

E

E

T

V

V

V

A

M

G

Q

C

A

E

E

G

R

F

L

D

D

G

G

L

S

V

V

A

L

I

L

G

A

G

G

C
|
C

D
|
D

K
|
K

N

S

M

L

P

P

G

G

C

M

L

L

M

M

G

A

L

A

A

A

R

R

L

L

D

D

R

L

P

A

S

A

V

V

F

F

V

L

Y

Y

G

A

G

G

T

S

I

I

L

L

P

P

G

G

-

R

-

A

-

K

-

L

-

S

-

D

-

G

-

S

E

E

N

R

H

D

T

V

D

T

I

I

V

I

S

D

V

A

F

F

E

E

A

A

V

V

G

G

Q

A

H

C

A

S

K

R

G

G

D

L

L

M

D

S

L

R

I

A

A

D

V

V

K

D

H

A

I

I

E

E

E

R

T

A

A

I

I

C

P

P

G

G

P

E

G

G

S

A

C
|
C

G

G

G

G

M

M

Y

Y

T

T

A

A

N

N

S

T

M

M

A

A

S

S

A

A

I

A

E

E

A

A

L

L

G

G

M

M

S

S

L

L

P

P

G

G

S

S

S

A

A

A

Q

P

N

P

A

A

V

T

S

D

R

R

A

R

K

R

H

D

D

G

D

F

C

A

E

R

A

R

A

S

G

G

A

Q

A

A

V

V

L

V

E

E

L

L

L

L

E

R

R

R

D

G

I

I

K

T

P

A

S

R

D

D

I

I

M

L

T

T

R

K

K

E

A

A

F

F

E

E

N

N

A

A

I

I

T

A

V

V

V

V

I

M

A

A

L

F

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

L

H

H

L

L

I

L

A

A

M

I

A

A

N

H

T

E

I

A

G

N

V

V

P

A

L

L

S

S

L

L

E

Q

D

D

F

F

T

S

E

R

I

I

G

G

R

S

R

G

V

V

P

P

V

H

V

L

A

A

D

D

L

V

R

K

P

P

S

F

G

G

H

R

Y

H

M

V

M

M

S

S

E

D

L

V

V

D

E

H

I

I

G

G

G

G

I

V

Q

P

P

V

L

V

M

M

K

K

T

A

L

L

L

L

D

D

A

A

G

G

L

L

L

L

H

H

G

G

D

D

C

C

L

L

T

T

V

V

T

T

G

G

R

H

T

T

L

M

A

A

E

E

N

N

L

L

A

A

N

A

V

I

A

T

P

P

Y

P

P

D

A

P

E

D

Q

G

Q

K

I

V

I

L

A

R

P

A

L

L

D

A

R

N

P

P

F

I

K

H

A

P

E

S

S

G

H

G

L

I

R

T

I

I

L

L

Y

H

G

G

N

S

L

L

A

A

P

P

E

E

G

G

G

A

V

V

A

V

K

K

I

T

T

A

G

G

K

F

E

D

G

S

T

D

R

V

F

F

T

E

G

G

T

T

A

A

R

R

V

V

F

F

G

D

S

G

E

E

E

R

E

A

A

A

Q

L

A

D

R

A

I

L

L

E

D

D

G

G

T

T

V

I

V

T

A

V

G

G

D

D

V

A

L

V

V

V

I

I

R

R

Y

Y

E

E

G

G

P

P

R

K

G

G

G

G

P

P

G

G

M

M

R

R

E
|
E

M

M

L

L

S

A

P

I

T

T

S

G

A

A

I

I

M

K

G

G

R

A

G

G

L

L

G

G

S

K

D

D

V

V

A

L

L

L

I

L

T

T

D

D

G

G

R

R

F

F

S
|
S

G

G

G

G

S

T

H

T

G

G

F

L

V

C

V

V

G

G

H

H

I

I

T

A

P

P

E

E

A

A

Y

V

D

D

G

G

G

G

P

P

I

I

A

A

L

L

V

L

H

R

D

N

G

G

D

D

E

R

I

I

T

R

I

L

D

D

A

V

E

A

A

G

D

R

T

V

I

L

E

D

V

V

N

L

V

A

S

D

D

P

E

A

E

E

L

F

M

A

R

S

R

R

R

Q

A

Q

A

D

W

F

Q

S

K

P

P

P

T

P

P

P

R

R

Y

Y

A

T

R

T

G

G

A

V

L

L

A

S

K

K

Y

Y

A

V

R

K

T

L

V

V

S

S

S

S

A

A

S

A

T

V

G

G

A

A

V

V

C64 (= C55) binding [2Fe-2S] cluster
D96 (= D87) binding Mg(2+)
C137 (= C128) binding [2Fe-2S] cluster
D138 (= D129) binding Mg(2+)
K139 (= K130) binding via carbamate group; modified: N6-carboxylysine
C214 (= C197) binding [2Fe-2S] cluster
E465 (= E448) binding Mg(2+)
S491 (= S474) mutation to A: Loss of catalytic activity.

6ovtA Crystal structure of ilvd from mycobacterium tuberculosis (see paper)
54% identity, 98% coverage: 7:556/563 of query aligns to 6:560/562 of 6ovtA

query
sites
6ovtA

P

P

R

R

R

S

R

R

Y

-

S

-

S

-

P

D

V

V

V

T

D

D

G

G

L

L

G

E

K

K

S

A

A

A

S

A

R

R

A

G

M

M

L

L

R

R

A

A

V

V

G

G

F

M

T

D

D

D

E

E

D

D

F

F

R

A

K

K

P

P

Q

Q

V

I

G

G

I

V

A

A

S

S

T

S

W

W

S

N

R

E

V

I

T

T

P

P

C
|
C

N

N

S

L

H

S

I

L

H

D

E

R

L

L

A

A

E

N

A

A

A

V

S

K

G

E

G

G

A

V

D

F

A

S

A

A

G

G

G

G

K

Y

G

P

V

L

I

E

F

F

N

G

T

T

I

I

T

S

I

V

S

S

D
|
D

G
|
G

I

I

A

S

N

M

G

G

T

H

E

E

G

G

M

M

K

H

Y

F

S

S

L

L

V

V

S

S

R

R

E

E

V

V

I

I

A

A

D

D

S

S

I

V

E

E

T

V

V

V

A

M

G

Q

C

A

E

E

G

R

F

L

D

D

G

G

L

S

V

V

A

L

I

L

G

A

G

G

C
|
C

D
|
D

K
|
K

N

S

M

L

P

P

G

G

C

M

L

L

M

M

G

A

L

A

A

A

R

R

L

L

D

D

R

L

P

A

S

A

V

V

F

F

V

L

Y

Y

G

A

G

G

T

S

I

I

L

L

P

P

G

G

-

R

-

A

-

K

-

L

-

S

-

D

-

G

-

S

E

E

N

R

H

D

T

V

D

T

I

I

V

I

S

D

V

A

F

F

E

E

A

A

V

V

G

G

Q

A

H

C

A

S

K

R

G

G

D

L

L

M

D

S

L

R

I

A

A

D

V

V

K

D

H

A

I

I

E

E

E

R

T

A

A

I

I

C

P

P

G

G

P

E

G

G

S
x
A

C
|
C

G

G

G

G

M

M

Y

Y

T

T

A

A

N

N

S

T

M

M

A

A

S

S

A

A

I

A

E

E

A

A

L

L

G

G

M

M

S

S

L

L

P

P

G

G

S

S

S

A

A

A

Q

P

N

P

A

A

V

T

S

D

R

R

A

R

K

R

H

D

D

G

D

F

C

A

E

R

A

R

A

S

G

G

A

Q

A

A

V

V

L

V

E

E

L

L

L

L

E

R

R

R

D

G

I

I

K

T

P

A

S

R

D

D

I

I

M

L

T

T

R

K

K

E

A

A

F

F

E

E

N

N

A

A

I

I

T

A

V

V

V

V

I

M

A

A

L

F

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

L

H

H

L

L

I

L

A

A

M

I

A

A

N

H

T

E

I

A

G

N

V

V

P

A

L

L

S

S

L

L

E

Q

D

D

F

F

T

S

E

R

I

I

G

G

R

S

R

G

V

V

P

P

V

H

V

L

A

A

D

D

L

V

R

K

P

P

S

F

G

G

H

R

Y

H

M

V

M

M

S

S

E

D

L

V

V

D

E

H

I

I

G

G

G

G

I

V

Q

P

P

V

L

V

M

M

K

K

T

A

L

L

L

L

D

D

A

A

G

G

L

L

L

L

H

H

G

G

D

D

C

C

L

L

T

T

V

V

T

T

G

G

R

H

T

T

L

M

A

A

E

E

N

N

L

L

A

A

N

A

V

I

A

T

P

P

Y

P

P

D

A

P

E

D

Q

G

Q

K

I

V

I

L

A

R

P

A

L

L

D

A

R

N

P

P

F

I

K

H

A

P

E

S

S

G

H

G

L

I

R

T

I

I

L

L

Y

H

G

G

N

S

L

L

A

A

P

P

E

E

G

G

G

A

V

V

A

V

K

K

I

T

T

A

G

G

K

F

E

D

G

S

T

D

R

V

F

F

T

E

G

G

T

T

A

A

R

R

V

V

F

F

G

D

S

G

E

E

E

R

E

A

A

A

Q

L

A

D

R

A

I

L

L

E

D

D

G

G

T

T

V

I

V

T

A

V

G

G

D

D

V

A

L

V

V

V

I

I

R

R

Y

Y

E

E

G

G

P

P

R

K

G

G

G

G

P

P

G

G

M

M

R

R

E
|
E

M

M

L

L

S

A

P

I

T

T

S

G

A

A

I

I

M

K

G

G

R

A

G

G

L

L

G

G

S

K

D

D

V

V

A

L

L

L

I

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

S

T

H

T

G

G

F

L

V

C

V

V

G

G

H

H

I

I

T

A

P

P

E

E

A

A

Y

V

D

D

G

G

G

G

P

P

I

I

A

A

L

L

V

L

H

R

D

N

G

G

D

D

E

R

I

I

T

R

I

L

D

D

A

V

E

A

A

G

D

R

T

V

I

L

E

D

V

V

N

L

V

A

S

D

D

P

E

A

E

E

L

F

M

A

R

S

R

R

R

Q

A

Q

A

D

W

F

Q

S

K

P

P

P

T

P

P

P

R

R

Y

Y

A

T

R

T

G

G

A

V

L

L

A

S

K

K

Y

Y

A

V

R

K

T

L

V

V

S

S

S

S

A

A

S

A

T

V

G

G

A

A

V

V

binding fe2/s2 (inorganic) cluster: C51 (= C55), G84 (= G88), C124 (= C128), D125 (= D129), A200 (≠ S196), C201 (= C197)
binding magnesium ion: D83 (= D87), D125 (= D129), K126 (= K130), E452 (= E448)

8imuA Dihydroxyacid dehydratase (dhad) mutant-v497f (see paper)
50% identity, 99% coverage: 2:558/563 of query aligns to 4:522/523 of 8imuA

query
sites
8imuA

S

A

E

D

Q

P

S

S

D

P

P

P

R

N

R

K

-

L

-

N

R

K

Y

Y

S

S

S

S

P

R

V

I

V

T

D

E

G

P

L

K

G

S

K

Q

S

G

A

G

S

S

R

Q

A

A

M

I

L

L

R

H

A

G

V

V

G

G

F

L

T

S

D

D

E

D

D

D

F

L

R

L

K

K

P

P

Q

Q

V

I

G

G

I

I

A

S

S

S

T

V

W

W

S

Y

R

E

V

G

T
x
N

P

T

C
|
C

N

N

S

M

H

H

I

L

H

L

E

K

L

L

A

S

E

E

A

A

A

V

S

K

G

E

G

G

A

V

D

E

A

N

A

A

G

G

G

M

K

V

G

G

V

F

I

R

F

F

N

N

T

T

I

I

T

G

I

V

S

S

D

D

G

A

I

I

A

S

N

M

G

G

T

T

E

R

G

G

M

M

K

C

Y

F

S

S

L

L

V

Q

S

S

R

R

E

D

V

L

I

I

A

A

D

D

S

S

I

I

E

E

T

T

V

V

A

M

G

S

C

A

E

Q

G

W

F

Y

D

D

G

G

L

N

V

I

A

S

I

I

G

P

G

G

C
|
C

D
|
D

K

K

N

N

M

M

P

P

G

G

C

T

L

I

M

M

G

A

L

M

A

G

R

R

L

L

D

N

R

R

P

P

S

G

V

I

F

M

V

V

Y

Y

G

G

G

G

T

T

I

I

L

K

P

P

G

G

E

-

N

-

H

-

T

-

D

-

I

-

V

-

S

-

V

-

F

-

E

-

A

-

V

-

G

-

Q

-

H

-

A

-

K

-

G

-

D

-

L

-

D

-

L

-

I

-

A

-

V

-

K

-

H

-

I

-

E

-

E

-

T

-

A

-

I

-

P

-

G

-

P

-

G

-

S

-

C

-

G

-

G

G

M

M

Y

Y

T

T

A

A

N

N

S

T

M

M

A

A

S

S

A

A

I

I

E

E

A

A

L

M

G

G

M

M

S

S

L

L

P

P

G

Y

S

S

S

S

A

S

Q

I

N

P

A

A

V

E

S

D

R

P

A

L

K

K

H

L

D

D

D

E

C

C

E

R

A

L

A

A

G

G

A

K

A

Y

V

L

L

L

E

E

L

L

L

L

E

K

R

M

D

D

I

L

K

K

P

P

S

R

D

D

I

I

M

I

T

T

R

P

K

K

A

S

F

L

E

R

N

N

A

A

I

M

T

V

V

S

V

V

I

M

A

A

L

L

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

L

H

H

L

L

I

I

A

A

M

I

A

A

N

R

T

S

I

V

G

G

V

L

P

E

L

L

S

T

L

L

E

D

D

D

F

F

T

Q

E

K

I

V

G

S

R

D

R

A

V

V

P

P

V

F

V

L

A

A

D

D

L

L

R

K

P

P

S

S

G

G

H

K

Y

Y

M

V

M

M

S

E

E

D

L

I

V

H

E

K

I

I

G

G

G

G

I

T

Q

P

P

A

L

V

M

L

K

R

T

Y

L

L

L

L

D

E

A

L

G

G

L

L

L

M

H

D

G

G

D

D

C

C

L

M

T

T

V

V

T

T

G

G

R

Q

T

T

L

L

A

A

E

Q

N

N

L

L

A

E

N

N

V

V

A

P

P

S

Y

L

P

T

A

E

E

G

Q

Q

Q

E

I

I

I

I

A

R

P

P

L

L

D

S

R

N

P

P

F

I

K

K

A

E

E

T

S

G

H

H

L

I

R

Q

I

I

L

L

Y

R

G

G

N

D

L

L

A

A

P

P

E

D

G

G

G

S

V

V

A

A

K

K

I

I

T

T

G

G

K

K

E

E

G

G

T

L

R

Y

F

F

T

S

G

G

T

P

A

A

R

L

V

V

F

F

G

E

S

G

E

E

E

E

E

S

A

M

Q

L

A

A

R

A

I

I

-

S

L

A

D

D

G

P

T

M

V

S

V

F

A

K

G

G

D

T

V

V

L

V

V

V

I

I

R

R

Y

G

E

E

G

G

P

P

R

K

G

G

G

G

P

P

G

G

M

M

R

P

E

E

M

M

L

L

S

T

P

P

T

T

S

S

A

A

I

I

M

M

G

G

R

A

G

G

L

L

G

G

S

K

D

E

V

C

A

A

L

L

I

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

S

S

H

H

G

G

F

F

V

V

V

F

G

G

H

H

I

I

T

C

P

P

E

E

A

A

Y

Q

D

E

G

G

G

G

P

P

I

I

A

G

L

L

V

I

H

K

D

N

G

G

D

D

E

I

I

I

T

T

I

I

D

D

A

I

E

G

A

A

D

A

T

R

I

I

E

D

V

T

N

Q

V

V

S

S

D

P

E

E

E

E

L

M

M

N

R

D

R

R

R

R

A

K

A

K

W

W

Q

T

K

A

P

P

T

A

P

Y

R

K

Y

V

A

N

R

R

G

G

A

V

L

L

A

Y

K

K

Y

Y

A

I

R

K

T

N

V

V

S

Q

S

S

A

A

S

S

T

D

G

G

A

C

V

V

T

T

D

D

binding fe2/s2 (inorganic) cluster: N57 (≠ T53), C59 (= C55), C132 (= C128), D133 (= D129)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
37% identity, 95% coverage: 25:559/563 of query aligns to 20:555/569 of 8epzA

query
sites
8epzA

R

R

A

S

M

W

L

M

R

K

A

N

V

R

G

G

F

I

T

P

D

H

E

D

D

Q

F

F

R

D

-

G

K

R

P

P

Q

V

V

I

G

G

I

I

A

C

S

N

T

T

W

F

S

S

R

E

V

L

T

T

P

P

C
|
C

N

N

S

S

H

H

I

F

H

R

E

T

L

L

A

A

E

E

A

Q

A

V

S

K

G

I

G

G

A

V

D

W

A

E

A

S

G

G

G

G

K

F

G

P

V

L

I

E

F

F

N

P

T

V

I

M

T

S

I

L

S

G

D
x
E

G

T

I

M

A

L

N

R

G

P

T

T

E

A

G

M

M

L

K

F

Y

R

S

N

L

L

V

A

S

S

R

M

E

D

V

V

I

E

A

-

D

-

S

-

I

-

E

E

T

S

V

I

A

R

G

G

C

-

E

N

G

P

F

L

D

D

G

G

L

V

V

V

A

L

I

L

G

M

G

G

C
|
C

D
|
D

K
|
K

N

T

M

T

P

P

G

S

C

L

L

M

M

M

G

G

L

A

A

A

R

S

L

C

D

D

R

L

P

P

S

T

V

I

F

G

V

V

Y

S

G

G

G

G

T

P

I

M

L

L

P

S

G

G

E

K

-

F

-

R

-

G

-

R

-

E

-

L

-

G

N

S

H

G

T

T

D

D

I

V

V

W

S

K

V

M

F

S

E

E

A

E

V

V

G

-

Q

-

H

-

A

R

K

A

G

G

D

Q

L

M

D

S

L

Q

I

E

A

E

V

F

K

F

H

E

I

A

E

E

E

S

T

C

A

M

I

H

P

R

G

S

P

H

G

G

S

H

C
|
C

G

M

G

T

M

M

Y

G

T

T

A

A

N

S

S

T

M

M

A

A

S

S

A

M

I

V

E

E

A

A

L

L

G

G

M

M

S

S

L

L

P

P

G

G

S

N

S

A

A

A

Q

I

N

P

A

A

V

V

S

D

R

A

A

R

K

R

H

N

D

L

D

L

C

A

E

R

A

A

A

S

G

G

A

R

A

R

V

I

L

V

E

Q

L

M

L

V

E

K

R

D

D

D

I

L

K

V

P

M

S

S

D

K

I

I

M

L

T

T

R

R

K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

R

V

V

V

N

I

A

A

A

L

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

I

H

H

L

L

I

L

A

A

M

I

A

A

N

G

T

R

I

I

G

G

V

V

P

D

L

L

S

T

L

L

E

A

D

D

F

W

T

D

E

A

I

L

G

G

R

H

R

K

V

L

P

P

V

C

V

L

A

V

D

D

L

L

R

Q

P

P

S

S

G

G

H

T

Y

H

M

L

M

M

S

E

E

D

L

F

V

Y

E

Y

I

A

G

G

G

G

I

V

Q

P

P

A

L

V

M

I

K

R

T

E

L

L

L

G

D

D

A

-

G

-

L

V

L

I

H

A

G

R

D

D

C

A

L

L

T

T

V

V

T

N

G

G

R

Q

T

T

L

L

A

W

E

D

N

N

L

C

A

K

N

D

V

A

A

P

P

N

Y

W

P

-

A

-

E

N

Q

R

Q

E

I

V

I

I

A

H

P

A

L

F

D

N

R

E

P

P

F

F

K

K

A

T

E

E

S

A

H

G

L

I

R

A

I

V

L

L

Y

R

G

G

N

N

L

L

A

C

P

P

E

D

G

G

G

A

V

V

A

I

K

K

I

P

T

S

G

A

K

A

E

T

G

P

T

A

-

L

-

L

R

K

F

H

T

K

G

G

T

R

A

A

R

V

V

V

F

F

G

E

S

N

E

S

E

E

E

H

A

M

Q

H

A

E

R

R

I

M

L

D

D

D

G

E

T

N

V

L

V

D

A

V

G

D

D

E

-

N

-

C

V

V

L

L

V

V

I

L

R

K

Y

N

E

C

G

G

P

P

R

R

G

G

G

Y

P

P

G

G

M

M

R

A

E
|
E

M

A

-

G

-

N

-

M

-

P

L

L

S

P

P

P

T

K

S

-

A

-

I

I

M

L

G

R

R

K

G

G

L

I

G

-

S

T

D

D

V

M

A

V

L

R

I

V

T

S

D

D

G

A

R

R

F

M

S

S

G

G

G

T

S

A

H

Y

G

G

F

T

V

V

V

V

G

L

H

H

I

V

T

A

P

P

E

E

A

A

Y

A

D

A

G

G

G

G

P

P

I

L

A

A

L

L

V

V

H

Q

D

D

G

G

D

D

E

I

I

I

T

E

I

L

D

D

A

V

E

A

A

A

D

R

T

K

I

L

E

H

V

L

N

H

V

V

S

S

D

D

E

E

E

E

L

L

M

A

R

R

R

R

R

R

A

E

A

A

W

W

Q

Q

K

A

P

P

T

P

P

A

R

P

Y

M

A

A

R

R

G

G

A

W

L

V

A

K

K

L

Y

Y

A

V

R

E

T

H

V

V

S

Q

S

Q

A

A

S

N

T

L

G

G

A

A

V

D

T

L

D

D

L

F

binding fe2/s2 (inorganic) cluster: C51 (= C55), C119 (= C128), D120 (= D129), C192 (= C197)
binding manganese (ii) ion: E83 (≠ D87), D120 (= D129), K121 (= K130), E443 (= E448)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg (see paper)
37% identity, 95% coverage: 25:559/563 of query aligns to 19:554/568 of 8ej0A

query
sites
8ej0A

R

R

A

S

M

W

L

M

R

K

A

N

V

R

G

G

F

I

T

P

D

H

E

D

D

Q

F

F

R

D

-

G

K

R

P

P

Q

V

V

I

G

G

I

I

A

C

S

N

T

T

W

F

S

S

R

E

V

L

T

T

P

P

C
|
C

N

N

S

S

H

H

I

F

H

R

E

T

L

L

A

A

E

E

A

Q

A

V

S

K

G

I

G

G

A

V

D

W

A

E

A

S

G

G

G

G

K

F

G

P

V

L

I

E

F

F

N

P

T

V

I

M

T

S

I

L

S

G

D
x
E

G

T

I

M

A

L

N

R

G

P

T

T

E

A

G

M

M

L

K

F

Y

R

S

N

L

L

V

A

S

S

R

M

E

D

V

V

I

E

A

-

D

-

S

-

I

-

E

E

T

S

V

I

A

R

G

G

C

-

E

N

G

P

F

L

D

D

G

G

L

V

V

V

A

L

I

L

G

M

G

G

C
|
C

D
|
D

K
|
K

N

T

M

T

P

P

G

S

C

L

L

M

M

M

G

G

L

A

A

A

R

S

L

C

D

D

R

L

P

P

S

T

V

I

F

G

V

V

Y

S

G

G

G

G

T

P

I

M

L

L

P

S

G

G

E

K

-

F

-

R

-

G

-

R

-

E

-

L

-

G

N

S

H

G

T

T

D

D

I

V

V
x
W

S

K

V

M

F

S

E

E

A

E

V

V

G

-

Q

-

H

-

A

R

K

A

G

G

D

Q

L

M

D

S

L

Q

I

E

A

E

V

F

K

F

H

E

I

A

E

E

E

S

T

C

A

M

I

H

P

R

G

S

P

H

G

G

S

H

C
|
C

G

M

G

T

M

M

Y

G

T
|
T

A

A

N

S

S

T

M

M

A

A

S

S

A

M

I

V

E

E

A

A

L

L

G

G

M

M

S

S

L

L

P

P

G

G

S

N

S

A

A

A

Q

I

N

P

A

A

V

V

S

D

R

A

A

R

K

R

H

N

D

L

D

L

C

A

E

R

A

A

A

S

G

G

A

R

A

R

V

I

L

V

E

Q

L

M

L

V

E

K

R

D

D

D

I

L

K

V

P

M

S

S

D

K

I

I

M

L

T

T

R

R

K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

R

V

V

V

N

I

A

A

A

L

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

I

H

H

L

L

I

L

A

A

M

I

A

A

N

G

T

R

I

I

G

G

V

V

P

D

L

L

S

T

L

L

E

A

D

D

F

W

T

D

E

A

I

L

G

G

R

H

R

K

V

L

P

P

V

C

V

L

A

V

D

D

L

L

R

Q

P

P

S

S

G

G

H

T

Y

H

M

L

M

M

S

E

E

D

L

F

V

Y

E

Y

I

A

G

G

G

G

I

V

Q

P

P

A

L

V

M

I

K

R

T

E

L

L

L

G

D

D

A

-

G

-

L

V

L

I

H

A

G

R

D

D

C

A

L

L

T

T

V

V

T

N

G

G

R

Q

T

T

L

L

A

W

E

D

N

N

L

C

A

K

N

D

V

A

A

P

P

N

Y

W

P

-

A

-

E

N

Q

R

Q

E

I

V

I

I

A

H

P

A

L

F

D

N

R

E

P

P

F

F

K

K

A

T

E

E

S

A

H

G

L

I

R

A

I

V

L

L

Y

R

G

G

N

N

L

L

A

C

P

P

E

D

G

G

G

A

V

V

A

I

K

K

I

P

T

S

G

A

K

A

E

T

G

P

T

A

-

L

-

L

R

K

F

H

T

K

G

G

T

R

A

A

R

V

V

V

F

F

G

E

S

N

E

S

E

E

E

H

A

M

Q

H

A

E

R

R

I

M

L

D

D

D

G

E

T

N

V

L

V

D

A

V

G

D

D

E

-

N

-

C

V

V

L

L

V

V

I

L

R

K

Y

N

E

C

G

G

P

P

R

R

G

G

G

Y

P

P

G

G

M

M

R

A

E
|
E

M

A

-

G

-

N

-

M

-

P

L

L

S

P

P

P

T

K

S

-

A

-

I

I

M

L

G

R

R

K

G

G

L

I

G

-

S

T

D

D

V

M

A

V

L

R

I

V

T

S

D

D

G

A

R

R

F

M

S
|
S

G
|
G

G

T

S

A

H

Y

G

G

F

T

V

V

V

V

G

L

H

H

I

V

T

A

P

P

E

E

A

A

Y

A

D

A

G

G

G

G

P

P

I

L

A

A

L

L

V

V

H

Q

D

D

G

G

D

D

E

I

I

I

T

E

I

L

D

D

A

V

E

A

A

A

D

R

T

K

I

L

E

H

V

L

N

H

V

V

S

S

D

D

E

E

E

E

L

L

M

A

R

R

R

R

R

R

A

E

A

A

W

W

Q

Q

K

A

P

P

T

P

P

A

R

P

Y

M

A

A

R

R

G

G

A

W

L

V

A

K

K

L

Y

Y

A

V

R

E

T

H

V

V

S

Q

S

Q

A

A

S

N

T

L

G

G

A

A

V

D

T

L

D

D

L

F

binding bicarbonate ion: D119 (= D129), W161 (≠ V164), T196 (= T202), E442 (= E448), S469 (= S474), S469 (= S474), G470 (= G475)
binding fe2/s2 (inorganic) cluster: C50 (= C55), E82 (≠ D87), C118 (= C128), D119 (= D129), C191 (= C197)
binding magnesium ion: E82 (≠ D87), D119 (= D129), K120 (= K130), E442 (= E448)

9evvD His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
35% identity, 98% coverage: 7:559/563 of query aligns to 4:561/575 of 9evvD

query
sites
9evvD

P

P

R

R

R

K

R

L

Y

R

S

S

S

Q

P

E

V

W

V

Y

D

G

G

G

L

T

G

S

K

R

S

D

A

V

-

I

-

Y

S

H

R

R

A

G

M

W

L

L

R

K

A

N

V

Q

G

G

F

Y

T

P

D

H

E

D

D

L

F

F

R

D

-

G

K

R

P

P

Q

V

V

I

G

G

I

I

A

L

S

N

T

T

W

W

S

S

R

D

V

M

T

T

P

P

C
|
C

N

N

S

G

H

H

I

L

H

R

E

E

L

L

A

A

E

E

A

K

A

V

S

K

G

A

G

G

A

V

D

W

A

E

A

A

G

G

G

G

K

F

G

P

V

L

I

E

F

V

N

P

T

V

I

F

T

S

I

A

S

S

D
x
E

G

N

I

T

A

F

N

R

G

P

T

T

E

-

G

-

M

-

K

-

Y

-

S

A

L

M

V

M

S

Y

R

R

E

N

V

L

I

A

A

A

D

L

S

A

I

V

E

E

T

E

V

A

A

I

G

R

C

G

E

Q

G

P

F

M

D

D

G

G

L

C

V

V

A

L

I

L

G

V

G

G

C
|
C

D
|
D

K
|
K

N

T

M

T

P

P

G

S

C

L

L

L

M

M

G

G

L

A

A

A

R

S

L

C

D

D

R

L

P

P

S

S

V

I

F

V

V

V

Y

T

G

G

G

G

T

P

I

M

L

L

P

N

G

G

E

Y

N

F

H

R

T

G

D

E

I

R

V

V

S

G

V

S

F

G

E

T

A

H

V

L

G

W

Q

K

H

F

A

S

K

E

-

M

-

V

-

K

-

A

G

G

D

E

L

M

D

T

L

Q

I

A

A

E

V

F

K

L

H

E

I

A

E

E

E

A

T

S

A

M

I

S

P

R

G

S

P

S

G

G

S
x
T

C
|
C

G

N

G

T

M

M

Y

G

T
|
T

A

A

N

S

S

T

M

M

A

A

S

S

A

M

I

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

S

A

A

A

Q

I

N

P

A

G

V

V

S

D

R

S

A

R

K

R

H

K

D

V

D

M

C

A

E

Q

A

L

A

T

G

G

A

R

A

R

V

I

L

V

E

Q

L

M

L

V

E

K

R

D

D

D

I

L

K

K

P

P

S

S

D

E

I

I

M

M

T

T

R

K

K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

R

V

T

V

N

I

A

A

A

L

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

L

I

H

H

L

L

I

L

A

A

M

I

A

A

N

G

T

R

I

V

G

G

V

I

P

D

L

L

S

S

L

L

E

D

D

D

F

W

T

D

E

R

I

C

G

G

R

R

R

D

V

V

P

P

V

T

V

I

A

V

D

N

L

L

R

M

P

P

S

S

G

G

H

K

Y

Y

M

L

M

M

S

E

E

E

L

F

V

F

E

Y

I

A

G

G

G

G

I

L

Q

P

P

V

L

V

M

L

K

K

T

R

L

L

L

G

D

E

A

A

G

G

L

L

L

L

H

H

G

K

D

D

C

A

L

L

T

T

V

V

T

S

G

G

R

E

T

T

L

V

A

W

E

D

N

E

L

V

A

K

N

D

V

V

A

V

P

N

Y

W

P

-

A

-

E

N

Q

E

Q

D

I

V

I

I

A

L

P

P

L

A

D

E

R

K

P

A

F

L

K

T

A

S

E

S

S

G

H

G

L

I

R

V

I

V

L

L

Y

R

G

G

N

N

L

L

A

A

P

P

E

K

G

G

G

A

V

V

A

L

K

K

I

P

T

S

G

A

K

A

E

S

G

P

T

H

R

L

F

L

T

V

-

H

-

K

G

G

T

R

A

A

R

V

V

V

F

F

G

E

S

D

E

I

E

D

E

D

A

Y

Q

K

A

A

R

K

I

I

L

N

D

D

G

D

T

N

V

L

V

D

A

I

G

D

D

E

-

N

-

C

V

I

L

M

V

V

I

M

R

K

Y

N

E

C

G

G

P

P

R

K

G

G

G

Y

P

P

G

G

M

M

R

A

E
|
E

M

V

-

G

-

N

-

M

-

G

L

L

S

P

P

P

T

K

S

-

A

-

I

V

M

L

G

K

R

K

G

G

L

I

G

-

S

L

D

D

V

M

A

V

L

R

I

I

T

S

D

D

G

A

R

R

F

M

S
|
S

G
|
G

G

T

S

A

H

Y

G

G

F

T

V

V

V

V

G

L

H

H

I

T

T

S

P

P

E

E

A

A

Y

A

D

V

G

G

G

G

P

P

I

L

A

A

L

V

V

V

H

K

D

N

G

G

D

D

E

M

I

I

T

E

I

L

D

D

A

V

E

P

A

N

D

R

T

R

I

L

E

H

V

L

N

D

V

I

S

S

D

D

E

E

E

E

L

L

M

A

R

R

R

R

R

L

A

A

A

E

W

W

Q

Q

K

P

P

N

T

H

P

D

R

L

Y

P

A

T

R

S

G

G

A

Y

L

A

A

F

K

L

Y

H

A

Q

R

Q

T

H

V

V

S

E

S

G

A

A

S

D

T

T

G

G

A

A

V

D

T

L

D

D

L

F

binding 2-ketobutyric acid: E87 (≠ D87), D124 (= D129), T201 (= T202), E449 (= E448), S476 (= S474), G477 (= G475)
binding fe2/s2 (inorganic) cluster: C55 (= C55), C123 (= C128), D124 (= D129), T195 (≠ S196), C196 (= C197)
binding magnesium ion: E87 (≠ D87), D124 (= D129), K125 (= K130), E449 (= E448)

9evvA His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
35% identity, 98% coverage: 7:559/563 of query aligns to 4:561/575 of 9evvA

query
sites
9evvA

P

P

R

R

R

K

R

L

Y

R

S

S

S

Q

P

E

V

W

V

Y

D

G

G

G

L

T

G

S

K

R

S

D

A

V

-

I

-

Y

S

H

R

R

A

G

M

W

L

L

R

K

A

N

V

Q

G

G

F

Y

T

P

D

H

E

D

D

L

F

F

R

D

-

G

K

R

P

P

Q

V

V

I

G

G

I

I

A

L

S

N

T

T

W

W

S

S

R

D

V

M

T

T

P

P

C
|
C

N

N

S

G

H

H

I

L

H

R

E

E

L

L

A

A

E

E

A

K

A

V

S

K

G

A

G

G

A

V

D

W

A

E

A

A

G

G

G

G

K

F

G

P

V

L

I

E

F

V

N

P

T

V

I

F

T

S

I

A

S

S

D
x
E

G
x
N

I

T

A

F

N

R

G

P

T

T

E

-

G

-

M

-

K

-

Y

-

S

A

L

M

V

M

S

Y

R

R

E

N

V

L

I

A

A

A

D

L

S

A

I

V

E

E

T

E

V

A

A

I

G

R

C

G

E

Q

G

P

F

M

D

D

G

G

L

C

V

V

A

L

I

L

G

V

G

G

C
|
C

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|
D

K
|
K

N

T

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T

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P

G

S

C

L

L

L

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M

G

G

L

A

A

A

R

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L

C

D

D

R

L

P

P

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I

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M

-

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G

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E

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M

D

T

L

Q

I

A

A

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V

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K

L

H

E

I

A

E

E

E

A

T

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A

M

I

S

P

R

G

S

P

S

G

G

S
x
T

C
|
C

G

N

G

T

M

M

Y

G

T

T

A

A

N

S

S

T

M

M

A

A

S

S

A

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I

A

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L

L

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M

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A

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L

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D

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A

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A

L

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G

G

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A

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I

L

V

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L

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L

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K

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D

D

I

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K

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P

S

S

D

E

I

I

M

M

T

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K

Q

A

A

F

F

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E

N

N

A

A

I

I

T

R

V

T

V

N

I

A

A

A

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I

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N

A

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H

H

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L

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L

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I

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L

L

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Y

Y

M

L

M

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S

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L

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F

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I

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G

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I

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N

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L

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D

D

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-

N

-

C

V

I

L

M

V

V

I

M

R

K

Y

N

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C

G

G

P

P

R

K

G

G

G

Y

P

P

G

G

M

M

R

A

E
|
E

M

V

-

G

-

N

-

M

-

G

L

L

S

P

P

P

T

K

S

-

A

-

I

V

M

L

G

K

R

K

G

G

L

I

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-

S

L

D

D

V

M

A

V

L

R

I

I

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S

D

D

G

A

R

R

F

M

S

S

G

G

G

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S

A

H

Y

G

G

F

T

V

V

V

V

G

L

H

H

I

T

T

S

P

P

E

E

A

A

Y

A

D

V

G

G

G

G

P

P

I

L

A

A

L

V

V

V

H

K

D

N

G

G

D

D

E

M

I

I

T

E

I

L

D

D

A

V

E

P

A

N

D

R

T

R

I

L

E

H

V

L

N

D

V

I

S

S

D

D

E

E

E

E

L

L

M

A

R

R

R

R

R

L

A

A

A

E

W

W

Q

Q

K

P

P

N

T

H

P

D

R

L

Y

P

A

T

R

S

G

G

A

Y

L

A

A

F

K

L

Y

H

A

Q

R

Q

T

H

V

V

S

E

S

G

A

A

S

D

T

T

G

G

A

A

V

D

T

L

D

D

L

F

binding fe2/s2 (inorganic) cluster: C55 (= C55), N88 (≠ G88), C123 (= C128), D124 (= D129), T195 (≠ S196), C196 (= C197)
binding magnesium ion: E87 (≠ D87), D124 (= D129), K125 (= K130), E449 (= E448)

B5ZZ34 L-arabinonate dehydratase; ArDHT; D-fuconate dehydratase; Galactonate dehydratase; L-arabonate dehydratase; EC 4.2.1.25; EC 4.2.1.67; EC 4.2.1.6 from Rhizobium leguminosarum bv. trifolii (strain WSM2304) (see 2 papers)
35% identity, 98% coverage: 7:559/563 of query aligns to 8:565/579 of B5ZZ34

query
sites
B5ZZ34

P

P

R

R

R

K

R

L

Y

R

S

S

S

Q

P

E

V

W

V

Y

D

G

G

G

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T

G

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R

S

D

A

V

-

I

-

Y

S

H

R

R

A

G

M

W

L

L

R

K

A

N

V

Q

G

G

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Y

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P

D

H

E

D

D

L

F

F

R

D

-

G

K

R

P

P

Q

V

V

I

G

G

I

I

A

L

S

N

T

T

W

W

S

S

R

D

V

M

T

T

P

P

C
|
C

N

N

S

G

H

H

I

L

H

R

E

E

L

L

A

A

E

E

A

K

A

V

S

K

G

A

G

G

A

V

D

W

A

E

A

A

G

G

G

G

K

F

G

P

V

L

I

E

F

V

N

P

T

V

I

F

T

S

I

A

S

S

D
x
E

G

N

I

T

A

F

N

R

G

P

T

T

E

-

G

-

M

-

K

-

Y

-

S

A

L

M

V

M

S

Y

R

R

E

N

V

L

I

A

A

A

D

L

S

A

I

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E

E

T

E

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A

A

I

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E

Q

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F

M

D

D

G

G

L

C

V

V

A

L

I

L

G

V

G

G

C
|
C

D
|
D

K

K

N

T

M

T

P

P

G

S

C

L

L

L

M

M

G

G

L

A

A

A

R

S

L

C

D

D

R

L

P

P

S

S

V

I

F

V

V

V

Y

T

G

G

G

G

T

P

I

M

L

L

P

N

G

G

E

Y

N

F

H

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T

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D

E

I

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V

S

G

V

S

F

G

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A

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M

-

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A

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A

M

I

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|
C

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Y

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T

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M

A

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I

A

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E

A

A

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L

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S

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A

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K

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C

A

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G

A

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L

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R

D

D

D

I

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K

P

P

S

S

D

E

I

I

M

M

T

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K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

R

V

T

V

N

I

A

A

A

L

I

G

G

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G

S

S

T

T

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N

A

A

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V

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I

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H

L

L

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L

A

A

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I

A

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G

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A

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N

L

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T

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L

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D

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A

A

G

G

L

L

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L

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D

D

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A

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L

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T

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G

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T

T

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A

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E

L

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A

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A

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Y

W

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-

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N

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E

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I

I

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P

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A

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A

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E

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S

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H

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I

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L

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G

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N

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L

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A

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P

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G

G

A

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I

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F

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V

-

H

-

K

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G

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A

A

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V

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F

G

E

S

D

E

I

E

D

E

D

A

Y

Q

K

A

A

R

K

I

I

L

N

D

D

G

D

T

N

V

L

V

D

A

I

G

D

D

E

-

N

-
x
C

V

I

L

M

V

V

I

M

R

K

Y

N

E
x
C

G

G

P

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R

K

G

G

G

Y

P

P

G

G

M

M

R

A

E
|
E

M

V

-

G

-

N

-

M

-

G

L

L

S

P

P

P

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K

S

-

A

-

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-

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A

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D

D

G

A

R

R

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|
S

G

G

G

T

S

A

H

Y

G

G

F

T

V

V

V

V

G

L

H

H

I

T

T

S

P

P

E

E

A

A

Y

A

D

V

G

G

G

G

P

P

I

L

A

A

L

V

V

V

H

K

D

N

G

G

D

D

E

M

I

I

T

E

I

L

D

D

A

V

E

P

A

N

D

R

T

R

I

L

E

H

V

L

N

D

V

I

S

S

D

D

E

E

E

E

L

L

M

A

R

R

R

R

R

L

A

A

A

E

W

W

Q

Q

K

P

P

N

T

H

P

D

R

L

Y

P

A

T

R

S

G

G

A

Y

L

A

A

F

K

L

Y

H

A

Q

R

Q

T

H

V

V

S

E

S

G

A

A

S

D

T

T

G

G

A

A

V

D

T

L

D

D

L

F

C59 (= C55) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (≠ D87) binding Mg(2+)
C127 (= C128) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D129) binding Mg(2+)
C200 (= C197) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (vs. gap) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ E438) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E448) binding Mg(2+)
S480 (= S474) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
35% identity, 98% coverage: 7:559/563 of query aligns to 5:562/576 of 5j85A

query
sites
5j85A

P

P

R

R

R

K

R

L

Y

R

S

S

S

Q

P

E

V

W

V

Y

D

G

G

G

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T

G

S

K

R

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D

A

V

-

I

-

Y

S

H

R

R

A

G

M

W

L

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R

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A

N

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Q

G

G

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Y

T

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D

H

E

D

D

L

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F

R

D

-

G

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R

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V

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G

I

I

A

L

S

N

T

T

W

W

S

S

R

D

V

M

T

T

P

P

C
|
C

N

N

S

G

H

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I

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H

R

E

E

L

L

A

A

E

E

A

K

A

V

S

K

G

A

G

G

A

V

D

W

A

E

A

A

G

G

G

G

K

F

G

P

V

L

I

E

F

V

N

P

T

V

I

F

T

S

I

A

S

S

D
x
E

G
x
N

I

T

A

F

N

R

G

P

T

T

E

-

G

-

M

-

K

-

Y

-

S

A

L

M

V

M

S

Y

R

R

E

N

V

L

I

A

A

A

D

L

S

A

I

V

E

E

T

E

V

A

A

I

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R

C

G

E

Q

G

P

F

M

D

D

G

G

L

C

V

V

A

L

I

L

G

V

G

G

C
|
C

D
|
D

K
|
K

N

T

M

T

P

P

G

S

C

L

L

L

M

M

G

G

L

A

A

A

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S

L

C

D

D

R

L

P

P

S

S

V

I

F

V

V

V

Y

T

G

G

G

G

T

P

I

M

L

L

P

N

G

G

E

Y

N

F

H

R

T

G

D

E

I

R

V

V

S

G

V

S

F

G

E

T

A

H

V

L

G

W

Q

K

H

F

A

S

K

E

-

M

-

V

-

K

-

A

G

G

D

E

L

M

D

T

L

Q

I

A

A

E

V

F

K

L

H

E

I

A

E

E

E

A

T

S

A

M

I

S

P

R

G

S

P

S

G

G

S
x
T

C
|
C

G

N

G

T

M

M

Y

G

T
|
T

A

A

N

S

S

T

M

M

A

A

S

S

A

M

I

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

S

A

A

A

Q

I

N

P

A

G

V

V

S

D

R

S

A

R

K

R

H

K

D

V

D

M

C

A

E

Q

A

L

A

T

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G

A

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A

R

V

I

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V

E

Q

L

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binding fe2/s2 (inorganic) cluster: C56 (= C55), N89 (≠ G88), C124 (= C128), D125 (= D129), T196 (≠ S196), C197 (= C197)
binding magnesium ion: E88 (≠ D87), D125 (= D129), K126 (= K130), T202 (= T202), E450 (= E448)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
38% identity, 89% coverage: 25:525/563 of query aligns to 25:529/583 of Q1JUQ1

query
sites
Q1JUQ1

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C47 (≠ A46) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C55) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C128) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C197) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (≠ E438) mutation to A: Increase in activity and still binds a 4Fe-4S cluster.

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
34% identity, 89% coverage: 32:530/563 of query aligns to 28:540/587 of 7m3kA

query
sites
7m3kA

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G

L

I

G

T

S

S

D

-

V

L

A

P

L

C

I

I

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

S

S

H

G

G

S

F

P

V

S

V

I

G

L

H

N

I

A

T

S

P

P

E

E

A

A

Y

A

D

A

G

G

G

G

P

G

I

L

A

A

L

I

V

L

H

K

D

T

G

G

D

D

E

R

I

V

T

R

I

I

D

D

A

L

E

G

A

R

D

G

T

T

I

A

E

D

V

I

N

L

V

I

S

S

D

D

E

E

E

E

L

L

M

A

R

E

R

R

R

R

A

K

A

A

W

L

Q

E

binding zinc ion: C53 (= C55), C121 (= C128)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
30% identity, 88% coverage: 32:526/563 of query aligns to 33:540/589 of 5oynA

query
sites
5oynA

G

G

F

I

T

T

D

P

E

E

D

E

F

L

R

R

-

S

-

G

K

K

P

P

Q

I

V

I

G

G

I

I

A

A

S

Q

T

T

W

G

S

S

R

D

V

I

T

S

P

P

C
|
C

N

N

S

R

H

I

I

H

H

L

E

D

L

L

A

V

E

Q

A

R

A

V

S

R

G

D

G

G

A

I

D

R

A

D

A

A

G

G

G

G

K

I

G

P

V

M

I

E

F

F

N

P

T

V

I

H

T

P

I

I

S

F

D
x
E

G
x
N

I

C

A

R

N

R

G

P

T

T

E

A

G

A

M

L

K

D

Y

R

S

N

L

L

V

S

S

Y

R

L

E

G

V

L

I

V

A

-

D

-

S

-

I

-

E

E

T

T

V

L

A

H

G

G

C

Y

E

P

G

-

F

I

D

D

G

A

L

V

V

V

A

L

I

T

G

T

G

G

C
|
C

D
|
D

K
|
K

N

T

M

T

P

P

G

A

C

G

L

I

M

M

G

A

L

A

A

T

R

T

L

V

D

N

R

I

P

P

S

A

V

I

F

V

V

L

Y

S

G

G

G

G

T

P

I

M

L

L

P

D

G

G

E

W

N

H

H

E

T

N

D

E

I

L

V

V

S

G

-

S

-

G

-

T

-

V

V

I

F

W

E

R

A

S

V

R

G

R

Q

K

H

L

A

A

K

A

G

G

D

E

L

I

D

T

L

E

I

E

A

E

V

F

K

I

H

D

I

R

E

A

E

A

T

S

A

S

I

A

P

P

G

S

P

A

G

G

S

H

C
|
C

G

N

G

T

M

M

Y

G

T

T

A

A

N

S

S

T

M

M

A

N

S

A

A

V

I

A

E

E

A

A

L

L

G

G

M

L

S

S

L

L

P

T

G

G

S

C

S

A

A

A

Q

I

N

P

A

A

V

P

S

Y

R

R

A

E

K

R

H

G

D

Q

D

M

C

A

E

Y

A

K

A

T

G

G

A

Q

A

R

V

I

L

V

E

D

L

L

L

A

E

Y

R

D

D

D

I

V

K

K

P

P

S

L

D

D

I

I

M

L

T

T

R

K

K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

A

V

L

V

V

I

A

A

A

L

A

G

G

G

G

S

S

T

T

N

N

A

A

V

Q

L

P

H

H

L

I

I

V

A

A

M

M

A

A

N

R

T

H

I

A

G

G

V

V

P

E

L

I

S

T

L

A

E

D

D

D

F

W

T

-

E

R

I

A

G

A

R

Y

R

D

V

I

P

P

V

L

V

I

A

V

D

N

L

M

R

Q

P

P

S

A

G

G

H

K

Y

Y

M

L

M

G

S

E

E

R

L

F

V

H

E

R

I

A

G

G

G

G

I

A

Q

P

P

A

L

V

M

L

K

W

T

E

L

L

L

L

D

Q

A

Q

G

G

L

R

L

L

H

H

G

G

D

D

C

V

L

L

T

T

V

V

T

T

G

G

R

K

T

T

L

M

A

S

E

E

N

N

L

L

A

Q

N

G

V

R

A

E

P

-

Y

-

P

T

A

S

E

D

Q

R

Q

E

I

V

I

I

A

F

P

P

L

Y

D

H

R

E

P

P

F

L

K

A

A

E

E

K

S

A

H

G

L

F

R

L

I

V

L

L

Y

K

G

G

N

N

L

L

A

F

P

-

E

D

G

F

G

A

V

I

A

M

K

K

I

S

T

S

-

V

-

I

-

G

-

E

-

E

-

F

-

R

-

K

-

R

-

Y

-

L

-

S

-

Q

-

P

G

G

K

Q

E

E

G

G

T

V

R

-

F

F

T

E

G

A

T

R

A

A

R

I

V

V

F

F

G

D

S

G

E

S

E

D

E

D

A

Y

Q

H

A

K

R

R

I

I

L

N

D

D

G

P

T

A

V

L

V

E

A

I

G

D

D

E

-

R

-

C

V

I

L

L

V

V

I

I

R

R

Y

G

E

A

G

G

P

P

R

I

G

G

G

W

P

P

G

G

M

S

R

A

E
|
E

M

V

-

V

-

N

L

M

S

Q

P

P

T

P

S

D

A

H

I

L

M

L

G

K

R

K

G

G

L

I

G

M

S

S

D

-

V

L

A

P

L

T

I

L

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

S

A

H

D

G

S

F

P

V

S

V

I

G

L

H

N

I

A

T

S

P

P

E

E

A

S

Y

A

D

I

G

G

G

G

P

G

I

L

A

S

L

W

V

L

H

R

D

T

G

G

D

D

E

T

I

I

T

R

I

I

D

D

A

L

E

N

A

T

D

G

T

R

I

C

E

D

V

A

N

L

V

V

S

D

D

E

E

A

E

T

L

I

M

A

R

A

R

R

R

K

binding fe2/s2 (inorganic) cluster: C58 (= C55), N91 (≠ G88), C126 (= C128), D127 (= D129), C199 (= C197)
binding magnesium ion: E90 (≠ D87), D127 (= D129), K128 (= K130), E461 (= E448)

Q9A9Z2 D-xylonate dehydratase; XyDHT; Gluconate dehydratase; EC 4.2.1.82; EC 4.2.1.39 from Caulobacter vibrioides (strain ATCC 19089 / CIP 103742 / CB 15) (Caulobacter crescentus) (see 2 papers)
30% identity, 88% coverage: 32:526/563 of query aligns to 39:546/595 of Q9A9Z2

query
sites
Q9A9Z2

G

G

F

I

T

T

D

P

E

E

D

E

F

L

R

R

-

S

-

G

K

K

P

P

Q

I

V

I

G

G

I

I

A

A

S

Q

T

T

W

G

S

S

R

D

V

I

T

S

P

P

C
|
C

N

N

S

R

H

I

I

H

H

L

E

D

L

L

A

V

E

Q

A

R

A

V

S

R

G

D

G

G

A

I

D

R

A

D

A

A

G

G

G

G

K

I

G

P

V

M

I

E

F

F

N

P

T

V

I

H

T

P

I

I

S

F

D
x
E

G

N

I

C

A

R

N

R

G

P

T

T

E

A

G

A

M

L

K

D

Y

R

S

N

L

L

V

S

S

Y

R

L

E

G

V

L

I

V

A

-

D

-

S

-

I

-

E

E

T

T

V

L

A

H

G

G

C

Y

E

P

G

-

F

I

D

D

G

A

L

V

V

V

A

L

I

T

G

T

G

G

C
|
C

D
|
D

K

K

N

T

M

T

P

P

G

A

C

G

L

I

M

M

G

A

L

A

A

T

R

T

L

V

D

N

R

I

P

P

S

A

V

I

F

V

V

L

Y

S

G

G

G

G

T

P

I

M

L

L

P

D

G

G

E

W

N

H

H

E

T

N

D

E

I

L

V

V

S

G

-

S

-

G

-

T

-

V

V

I

F

W

E

R

A

S

V

R

G

R

Q

K

H

L

A

A

K

A

G

G

D

E

L

I

D

T

L

E

I

E

A

E

V

F

K

I

H

D

I

R

E

A

E

A

T

S

A

S

I

A

P

P

G

S

P

A

G

G

S

H

C
|
C

G

N

G

T

M

M

Y

G

T

T

A

A

N

S

S

T

M

M

A

N

S

A

A

V

I

A

E

E

A

A

L

L

G

G

M

L

S

S

L

L

P

T

G

G

S

C

S

A

A

A

Q

I

N

P

A

A

V

P

S

Y

R

R

A

E

K

R

H

G

D

Q

D

M

C

A

E

Y

A

K

A

T

G

G

A

Q

A

R

V

I

L

V

E

D

L

L

L

A

E

Y

R

D

D

D

I

V

K

K

P

P

S

L

D

D

I

I

M

L

T

T

R

K

K

Q

A

A

F

F

E

E

N

N

A

A

I

I

T

A

V

L

V

V

I

A

A

A

L

A

G

G

G

G

S

S

T

T

N

N

A

A

V

Q

L

P

H

H

L

I

I

V

A

A

M

M

A

A

N

R

T

H

I

A

G

G

V

V

P

E

L

I

S

T

L

A

E

D

D

D

F

W

T

-

E

R

I

A

G

A

R

Y

R

D

V

I

P

P

V

L

V

I

A

V

D

N

L

M

R

Q

P

P

S

A

G

G

H

K

Y

Y

M

L

M

G

S

E

E

R

L

F

V

H

E

R

I

A

G

G

G

G

I

A

Q

P

P

A

L

V

M

L

K

W

T

E

L

L

L

L

D

Q

A

Q

G

G

L

R

L

L

H

H

G

G

D

D

C

V

L

L

T

T

V

V

T

T

G

G

R

K

T

T

L

M

A

S

E

E

N

N

L

L

A

Q

N

G

V

R

A

E

P

-

Y

-

P

T

A

S

E

D

Q

R

Q

E

I

V

I

I

A

F

P

P

L

Y

D

H

R

E

P

P

F

L

K

A

A

E

E

K

S

A

H

G

L

F

R

L

I

V

L

L

Y

K

G

G

N

N

L

L

A

F

P

-

E

D

G

F

G

A

V

I

A

M

K

K

I

S

T

S

-

V

-

I

-

G

-

E

-

E

-

F

-

R

-

K

-

R

-

Y

-

L

-

S

-

Q

-

P

G

G

K

Q

E

E

G

G

T

V

R

-

F

F

T

E

G

A

T

R

A

A

R

I

V

V

F

F

G

D

S

G

E

S

E

D

E

D

A

Y

Q

H

A

K

R

R

I

I

L

N

D

D

G

P

T

A

V

L

V

E

A

I

G

D

D

E

-

R

-
x
C

V

I

L

L

V

V

I

I

R

R

Y

G

E

A

G

G

P

P

R

I

G

G

G

W

P

P

G

G

M

S

R

A

E
|
E

M

V

-

V

-

N

L

M

S

Q

P

P

T

P

S

D

A

H

I

L

M

L

G

K

R

K

G

G

L

I

G

M

S

S

D

-

V

L

A

P

L

T

I

L

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

S

A

H

D

G

S

F

P

V

S

V

I

G

L

H

N

I

A

T

S

P

P

E

E

A

S

Y

A

D

I

G

G

G

G

P

G

I

L

A

S

L

W

V

L

H

R

D

T

G

G

D

D

E

T

I

I

T

R

I

I

D

D

A

L

E

N

A

T

D

G

T

R

I

C

E

D

V

A

N

L

V

V

S

D

D

E

E

A

E

T

L

I

M

A

R

A

R

R

R

K

C64 (= C55) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (≠ D87) binding Mg(2+)
C132 (= C128) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D129) binding Mg(2+)
C205 (= C197) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (vs. gap) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E448) binding Mg(2+)

Query Sequence

>WP_043529746.1 NCBI__GCF_000759345.1:WP_043529746.1
MSEQSDPRRRYSSPVVDGLGKSASRAMLRAVGFTDEDFRKPQVGIASTWSRVTPCNSHIH
ELAEAASGGADAAGGKGVIFNTITISDGIANGTEGMKYSLVSREVIADSIETVAGCEGFD
GLVAIGGCDKNMPGCLMGLARLDRPSVFVYGGTILPGENHTDIVSVFEAVGQHAKGDLDL
IAVKHIEETAIPGPGSCGGMYTANSMASAIEALGMSLPGSSAQNAVSRAKHDDCEAAGAA
VLELLERDIKPSDIMTRKAFENAITVVIALGGSTNAVLHLIAMANTIGVPLSLEDFTEIG
RRVPVVADLRPSGHYMMSELVEIGGIQPLMKTLLDAGLLHGDCLTVTGRTLAENLANVAP
YPAEQQIIAPLDRPFKAESHLRILYGNLAPEGGVAKITGKEGTRFTGTARVFGSEEEAQA
RILDGTVVAGDVLVIRYEGPRGGPGMREMLSPTSAIMGRGLGSDVALITDGRFSGGSHGF
VVGHITPEAYDGGPIALVHDGDEITIDAEADTIEVNVSDEELMRRRAAWQKPTPRYARGA
LAKYARTVSSASTGAVTDLPDVR

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