SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013834773.1 NCBI__GCF_000214825.1:WP_013834773.1 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 13 hits to proteins with known functional sites (download)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
37% identity, 98% coverage: 5:626/634 of query aligns to 20:573/575 of P9WKJ5

query
sites
P9WKJ5

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C64 (≠ G49) binding [2Fe-2S] cluster
D96 (= D81) binding Mg(2+)
C137 (= C122) binding [2Fe-2S] cluster
D138 (= D123) binding Mg(2+)
K139 (= K124) binding via carbamate group; modified: N6-carboxylysine
C214 (= C195) binding [2Fe-2S] cluster
E465 (= E508) binding Mg(2+)
S491 (= S534) mutation to A: Loss of catalytic activity.

6ovtA Crystal structure of ilvd from mycobacterium tuberculosis (see paper)
37% identity, 98% coverage: 5:626/634 of query aligns to 7:560/562 of 6ovtA

query
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6ovtA

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binding fe2/s2 (inorganic) cluster: C51 (≠ G49), G84 (= G82), C124 (= C122), D125 (= D123), A200 (≠ S194), C201 (= C195)
binding magnesium ion: D83 (= D81), D125 (= D123), K126 (= K124), E452 (= E508)

Q9LIR4 Dihydroxy-acid dehydratase, chloroplastic; AthDHAD; DAD; EC 4.2.1.9 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
37% identity, 93% coverage: 4:595/634 of query aligns to 56:584/608 of Q9LIR4

query
sites
Q9LIR4

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N

S

M

Q

A

G

G

G

A

S

R

Q

A

A

L

I

W

L

R

H

A

G

T

V

G

G

M

L

N

S

S

D

E

D

D

D

F

L

G

L

K

K

P

P

I

Q

I

I

A

G

I

I

A

S

N

S

S

V

F

W

T

Y

Q

E

F

G

V

N

P

T

G
x
C

H

N

V

M

H

H

L

L

K

L

D

K

L

L

G

S

Q

E

L

A

V

V

A

K

G

E

V

G

I

V

E

E

Q

N

S

A

G

G

G

M

V

V

A

G

K

F

E

R

F

F

N

N

T

T

I

I

A

G

V

V

D

S

D

D

G

A

I

I

A

S

M

M

G

G

H

T

D

R

G

G

M

M

L

C

Y

F

S

S

L

L

P

Q

S

S

R

R

E

D

V

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

V

M

N

S

A

A

H

Q

C

W

A

Y

D

D

A

G

L

N

V

I

C

S

I

I

S

P

N

G

C
|
C

D
|
D

K

K

I

N

T

M

P

P

G

G

M

T

L

I

M

M

A

A

A

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

S

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

H

T

F

V

-

I

-

G

-

G

-

Q

Q

T

D

I

K

K

T

L

Y

D

D

L

I

V

V

D

S

A

A

M

F

V

Q

M

S

A

Y

A

G

D

E

-

F

-

V

-

S

D

G

K

S

V

I

T

S

D

D

E

E

E

Q

V

R

E

K

S

T

V

V

E

L

V

H

S

H

A

S

C

C

P

P

T

G

C

A

G

G

S

A

C
|
C

S

G

G

G

M

M

F

Y

T

T

A

A

N

N

S

T

M

M

N

A

C

S

L

A

A

I

E

E

A

A

L

M

G

G

M

M

A

S

L

L

P

P

G

Y

N

S

G

S

S

S

A

I

L

P

A

A

T

E

H

D

A

P

D

L

R

K

K

L

H

D

L

E

F

C

E

R

E

L

A

A

G

G

R

K

R

Y

I

L

V

L

E

E

I

L

A

L

K

K

E

M

Y

-

Y

-

E

-

K

-

D

-

N

-

D

-

K

D

V

L

L

K

P

P

R

R

S

D

I

I

A

I

T

T

F

P

S

K

A

S

F

L

Q

R

N

N

A

A

V

M

A

V

L

S

D

V

V

M

A

A

M

L

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

L

H

H

L

L

L

I

A

A

V

I

A

A

H

R

E

S

A

V

G

G

V

L

E

E

F

L

T

T

M

L

S

D

D

D

I

F

D

Q

A

K

M

V

S

S

R

D

R

A

V

V

P

P

C

F

L

L

S

A

K

D

V

L

A

K

P

P

N

S

S

G

K

K

I

-

Y

Y

H

V

M

M

E

E

D

D

V

I

H

H

R

K

A

I

G

G

G

G

I

T

M

P

R

A

L

V

L

L

G

R

E

Y

L

L

D

L

R

E

G

L

G

G

L

L

L

M

D

D

P

G

D

D

T

C

Y

M

T

T

V

V

H

T

S

G

S

Q

T

T

L

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

R

-

R

-

N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

-

P

-

G

-

N

N

V

V

R

P

T

S

T

L

Q

T

A

E

F

G

S

Q

Q

E

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

-

D

-

Y

-

E

-

N

-

G

-

C

I

I

I

R

R

S

P

V

L

E

S

H

N

A

P

Y

I

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K

Q

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D

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G

G

G

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L

I

A

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I

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L

F

R

G

G

N

D

I

L

A

A

Q

P

D

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

I

-

D

K

E

E

S

G

M

L

L

Y

E

-

V

-

E

-

Q

-

L

-

Q

-

Y

-

T

-

T

-

S

-

V

-

P

-

T

-

S

-

T

-

I

-

R

-

V

-

F

F

S

S

G

G

P

P

T

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

A

A

A

A

I

I

L

S

G

A

D

D

E

P

V

M

Q

S

-

F

K

K

G

G

D

T

V

V

V

V

L

V

I

I

R

R

Y

G

E

E

G

G

P

P

K

K

G

G

G

G

P

P

G

G

M

M

Q

P

E
|
E

M

M

L

L

Y

T

P

P

T

T

S

S

Y

A

L

I

K

M

S

G

K

A

G

G

L

L

G

G

K

K

Y

E

C

C

A

A

L

L

L

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

T

S

S

H

G

G

L

F

S

V

I

V

G

G

H

H

A

I

S

C

P

P

E

E

A

A

A

Q

E

E

G

G

G

G

N

P

I

I

G

G

L

L

V

I

E

K

E

N

G

G

D

D

I

I

I

I

E

T

I

I

D

D

I

I

P

G

N

K

R

K

S

R

I

I

N

D

V

T

K

Q

L

V

S

S

D

P

Y

E

E

E

L

M

S

N

Q

D

R

R

R

R

Q

K

K

K

M

W

L

T

A

A

K

P

G

A

D

Y

K

K

C100 (≠ G49) binding [2Fe-2S] cluster
C173 (= C122) binding [2Fe-2S] cluster
D174 (= D123) binding Mg(2+)
C245 (= C195) binding [2Fe-2S] cluster
E497 (= E508) binding Mg(2+)

8hs0A The mutant structure of dhad v178w
37% identity, 93% coverage: 4:595/634 of query aligns to 18:546/570 of 8hs0A

query
sites
8hs0A

Y

Y

R

S

S

S

R

R

T

I

S

-

T

T

H

E

G

P

R

K

N

S

M

Q

A

G

G

G

A

S

R

Q

A

A

L

I

W

L

R

H

A

G

T

V

G

G

M

L

N

S

S

D

E

D

D

D

F

L

G

L

K

K

P

P

I

Q

I

I

A

G

I

I

A

S

N

S

S

V

F

W

T

Y

Q

E

F

G

V

N

P

T

G
x
C

H

N

V

M

H

H

L

L

K

L

D

K

L

L

G

S

Q

E

L

A

V

V

A

K

G

E

V

G

I

V

E

E

Q

N

S

A

G

G

G

M

V

V

A

G

K

F

E

R

F

F

N

N

T

T

I

I

A

G

V

V

D

S

D
|
D

G
x
A

I

I

A

S

M

M

G

G

H

T

D

R

G

G

M

M

L

C

Y

F

S

S

L

L

P

Q

S

S

R

R

E

D

V

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

V

M

N

S

A

A

H

Q

C

W

A

Y

D

D

A

G

L

N

V

I

C

S

I

I

S

P

N

G

C
|
C

D
|
D

K
|
K

I

N

T

M

P

P

G

G

M

T

L

I

M

M

A

A

A

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

S

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

H

T

F

V

-

I

-

G

-

G

-

Q

Q

T

D

I

K

K

T

L

Y

D

D

L

I

V

W

D

S

A

A

M

F

V

Q

M

S

A

Y

A

G

D

E

-

F

-

V

-

S

D

G

K

S

V

I

T

S

D

D

E

E

E

Q

V

R

E

K

S

T

V

V

E

L

V

H

S

H

A

S

C

C

P

P

T

G

C

A

G

G

S

A

C
|
C

S

G

G

G

M

M

F

Y

T

T

A

A

N

N

S

T

M

M

N

A

C

S

L

A

A

I

E

E

A

A

L

M

G

G

M

M

A

S

L

L

P

P

G

Y

N

S

G

S

S

S

A

I

L

P

A

A

T

E

H

D

A

P

D

L

R

K

K

L

H

D

L

E

F

C

E

R

E

L

A

A

G

G

R

K

R

Y

I

L

V

L

E

E

I

L

A

L

K

K

E

M

Y

-

Y

-

E

-

K

-

D

-

N

-

D

-

K

D

V

L

L

K

P

P

R

R

S

D

I

I

A

I

T

T

F

P

S

K

A

S

F

L

Q

R

N

N

A

A

V

M

A

V

L

S

D

V

V

M

A

A

M

L

G

G

G

G

S

S

T

T

N
|
N

T

A

V

V

L

L

H
|
H

L

L

L

I

A

A

V

I

A

A

H

R

E

S

A

V

G

G

V

L

E

E

F

L

T

T

M

L

S

D

D

D

I

F

D

Q

A

K

M

V

S

S

R

D

R

A

V

V

P

P

C

F

L

L

S

A

K

D

V

L

A

K

P

P

N

S

S

G

K

K

I

-

Y

Y

H

V

M

M

E

E

D

D

V

I

H

H

R

K

A

I

G

G

G

G

I

T

M

P

R

A

L

V

L

L

G

R

E

Y

L

L

D

L

R

E

G

L

G

G

L

L

L

M

D

D

P

G

D

D

T

C

Y

M

T

T

V

V

H

T

S

G

S

Q

T

T

L

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

R

-

R

-

N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

-

P

-

G

-

N

N

V

V

R

P

T

S

T

L

Q

T

A

E

F

G

S

Q

Q

E

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

-

D

-

Y

-

E

-

N

-

G

-

C

I

I

I

R

R

S

P

V

L

E

S

H

N

A

P

Y

I

T

K

Q

E

D

T

G

G

G

H

L

I

A

Q

V

I

L

L

F

R

G

G

N

D

I

L

A

A

Q

P

D

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

I

-

D

K

E

E

S

G

M

L

L

Y

E

-

V

-

E

-

Q

-

L

-

Q

-

Y

-

T

-

T

-

S

-

V

-

P

-

T

-

S

-

T

-

I

-

R

-

V

-

F

F

S

S

G

G

P

P

T

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

A

A

A

A

I

I

L

S

G

A

D

D

E

P

V

M

Q

S

-

F

K

K

G

G

D

T

V

V

V

V

L

V

I

I

R

R

Y

G

E

E

G

G

P

P

K

K

G

G

G

G

P

P

G

G

M

M

Q

P

E

E

M

M

L

L

Y

T

P

P

T

T

S

S

Y

A

L

I

K

M

S

G

K

A

G

G

L

L

G

G

K

K

Y

E

C

C

A

A

L

L

L

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

T

S

S

H

G

G

L

F

S

V

I

V

G

G

H

H

A

I

S

C

P

P

E

E

A

A

A

Q

E

E

G

G

G

G

N

P

I

I

G

G

L

L

V

I

E

K

E

N

G

G

D

D

I

I

I

I

E

T

I

I

D

D

I

I

P

G

N

A

R

A

S

R

I

I

N

D

V

T

K

Q

L

V

S

S

D

P

Y

E

E

E

L

M

S

N

Q

D

R

R

R

R

Q

K

K

K

M

W

L

T

A

A

K

P

G

A

D

Y

K

K

binding fe2/s2 (inorganic) cluster: C62 (≠ G49), D94 (= D81), A95 (≠ G82), C135 (= C122), D136 (= D123), C207 (= C195)
binding magnesium ion: D136 (= D123), K137 (= K124), N285 (= N280), H289 (= H284)

8imuA Dihydroxyacid dehydratase (dhad) mutant-v497f
35% identity, 93% coverage: 4:595/634 of query aligns to 15:499/523 of 8imuA

query
sites
8imuA

Y

Y

R

S

S

S

R

R

T

I

S

-

T

T

H

E

G

P

R

K

N

S

M

Q

A

G

G

G

A

S

R

Q

A

A

L

I

W

L

R

H

A

G

T

V

G

G

M

L

N

S

S

D

E

D

D

D

F

L

G

L

K

K

P

P

I

Q

I

I

A

G

I

I

A

S

N

S

S

V

F

W

T

Y

Q

E

F

G

V
x
N

P

T

G
x
C

H

N

V

M

H

H

L

L

K

L

D

K

L

L

G

S

Q

E

L

A

V

V

A

K

G

E

V

G

I

V

E

E

Q

N

S

A

G

G

G

M

V

V

A

G

K

F

E

R

F

F

N

N

T

T

I

I

A

G

V

V

D

S

D

D

G

A

I

I

A

S

M

M

G

G

H

T

D

R

G

G

M

M

L

C

Y

F

S

S

L

L

P

Q

S

S

R

R

E

D

V

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

V

M

N

S

A

A

H

Q

C

W

A

Y

D

D

A

G

L

N

V

I

C

S

I

I

S

P

N

G

C
|
C

D
|
D

K

K

I

N

T

M

P

P

G

G

M

T

L

I

M

M

A

A

A

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

S

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

-

T

-

V

-

I

-

G

-

G

-

Q

-

T

-

I

-

K

-

L

-

D

-

L

-

V

-

D

-

A

-

M

-

V

-

M

-

A

-

A

-

D

-

D

-

K

-

V

-

T

-

D

-

E

-

E

-

V

-

E

-

S

-

V

-

E

-

V

-

S

-

A

-

C

-

P

-

T

-

C

-

G

-

S

-

C

-

S

-

G

G

M

M

F

Y

T

T

A

A

N

N

S

T

M

M

N

A

C

S

L

A

A

I

E

E

A

A

L

M

G

G

M

M

A

S

L

L

P

P

G

Y

N

S

G

S

S

S

A

I

L

P

A

A

T

E

H

D

A

P

D

L

R

K

K

L

H

D

L

E

F

C

E

R

E

L

A

A

G

G

R

K

R

Y

I

L

V

L

E

E

I

L

A

L

K

K

E

M

Y

-

Y

-

E

-

K

-

D

-

N

-

D

-

K

D

V

L

L

K

P

P

R

R

S

D

I

I

A

I

T

T

F

P

S

K

A

S

F

L

Q

R

N

N

A

A

V

M

A

V

L

S

D

V

V

M

A

A

M

L

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

L

H

H

L

L

L

I

A

A

V

I

A

A

H

R

E

S

A

V

G

G

V

L

E

E

F

L

T

T

M

L

S

D

D

D

I

F

D

Q

A

K

M

V

S

S

R

D

R

A

V

V

P

P

C

F

L

L

S

A

K

D

V

L

A

K

P

P

N

S

S

G

K

K

I

-

Y

Y

H

V

M

M

E

E

D

D

V

I

H

H

R

K

A

I

G

G

G

G

-

T

-

P

-

A

I

V

M

L

R

R

L

Y

L

L

G

L

E

E

L

L

D

-

R

-

G

-

G

G

L

L

L

M

D

D

P

G

D

D

T

C

Y

M

T

T

V

V

H

T

S

G

S

Q

T

T

L

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

R

-

R

-

N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

-

P

-

G

-

N

N

V

V

R

P

T

S

T

L

Q

T

A

E

F

G

S

Q

Q

E

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

-

D

-

Y

-

E

-

N

-

G

-

C

I

I

I

R

R

S

P

V

L

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S

H

N

A

P

Y

I

T

K

Q

E

D

T

G

G

G

H

L

I

A

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V

I

L

L

F

R

G

G

N

D

I

L

A

A

Q

P

D

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

I

-

D

K

E

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S

G

M

L

L

Y

E

-

V

-

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Q

-

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-

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-

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-

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-

T

-

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-

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-

I

-

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-

V

-

F

F

S

S

G

G

P

P

T

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

A

A

A

A

I

I

L

S

G

A

D

D

E

P

V

M

Q

S

-

F

K

K

G

G

D

T

V

V

V

V

L

V

I

I

R

R

Y

G

E

E

G

G

P

P

K

K

G

G

G

G

P

P

G

G

M

M

Q

P

E

E

M

M

L

L

Y

T

P

P

T

T

S

S

Y

A

L

I

K

M

S

G

K

A

G

G

L

L

G

G

K

K

Y

E

C

C

A

A

L

L

L

L

T

T

D

D

G

G

R

R

F

F

S

S

G

G

G

G

T

S

S

H

G

G

L

F

S

V

I

F

G

G

H

H

A

I

S

C

P

P

E

E

A

A

A

Q

E

E

G

G

G

G

N

P

I

I

G

G

L

L

V

I

E

K

E

N

G

G

D

D

I

I

I

I

E

T

I

I

D

D

I

I

P

G

N

A

R

A

S

R

I

I

N

D

V

T

K

Q

L

V

S

S

D

P

Y

E

E

E

L

M

S

N

Q

D

R

R

R

R

Q

K

K

K

M

W

L

T

A

A

K

P

G

A

D

Y

K

K

binding fe2/s2 (inorganic) cluster: N57 (≠ V47), C59 (≠ G49), C132 (= C122), D133 (= D123)

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)
32% identity, 90% coverage: 33:601/634 of query aligns to 43:539/579 of B5ZZ34

query
sites
B5ZZ34

G

G

K

R

P

P

I

V

I

I

A

G

I

I

A

L

N

N

S

T

F

W

T

S

Q

D

F

M

V

T

P

P

G
x
C

H

N

V

G

H

H

L

L

K

R

D

E

L

L

G

A

Q

E

L

K

V

V

A

K

G

A

V

G

I

V

E

W

Q

E

S

A

G

G

G

G

V

F

A

P

K

L

E

E

F

V

N

P

T

V

I

F

A

S

V

A

D

S

D
x
E

G

N

I

-

A

T

M

F

G

R

H

P

D

T

G

A

M

M

L

M

Y

Y

S

-

L

-

P

-

S

-

R

R

E

N

V

L

I

A

A

A

D

L

S

A

V

V

E

E

Y

E

M

A

V

I

N

R

A

G

H

Q

C

P

A

M

D

D

A

G

L

C

V

V

C

L

I

L

S

V

N

G

C
|
C

D
|
D

K

K

I

T

T

T

P

P

G

S

M

L

L

L

M

M

A

G

A

A

M

A

R

S

L

C

N

D

I

L

P

P

T

S

I

I

F

V

V

V

S

T

G

G

G

G

P

P

M

M

E

L

S

N

G

G

-

Y

-

F

K

R

T

G

V

E

I

R

G

V

G

G

Q

S

T

G

I

T

K

H

L

L

D

W

L

K

V

F

D

S

A

E

M

M

V

V

M

K

A

A

A

G

D

E

D

-

K

-

V

M

T

T

D

Q

E

A

E

E

V

F

E

L

S

E

V

A

E

E

V

A

S

S

A

M

C

S

P

R

T

S

C

S

G

G

S

T

C
|
C

S

N

G

T

M

M

F

G

T

T

A

A

N

S

S

T

M

M

N

A

C

S

L

M

A

A

E

E

A

A

L

L

G

G

M

M

A

A

L

L

P

S

G

G

N

N

G

A

S

A

A

I

L

P

A

G

T

V

H

D

A

S

D

R

R

R

K

K

H

V

L

M

F

A

E

Q

E

L

A

T

G

G

R

R

R

R

I

I

V

V

E

Q

I

M

A

V

K

K

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

L

L

K

P

P

R

S

S

E

I

I

A

M

T

T

F

K

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

R

L

T

D

N

V

A

A

A

M

I

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

I

H

H

L

L

L

L

A

A

V

I

A

A

H

G

E

R

A

V

G

G

V

I

E

D

F

L

T

S

M

L

S

D

D

D

I

W

D

D

A

R

M

C

S

G

R

R

R

D

V

V

P

P

C

T

L

I

S

V

K

N

V

L

A

M

P

P

N

S

S

G

K

K

I

-

Y

Y

H

L

M

M

E

E

D

E

V

F

H

F

R

Y

A

A

G

G

G

G

I

L

M

P

R

V

L

V

L

L

G

K

E

R

L

L

D

G

R

E

G

A

G

G

L

L

L

L

D

H

P

K

D

D

T

A

Y

L

T

T

V

V

H

S

S

G

S

E

T

T

L

-

G

-

A

-

A

-

L

-

E

-

L

V

W

W

D

D

I

-

R

-

R

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N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

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P

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G

-

N

E

V

V

R

K

T

D

T

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Q

V

A

N

F

W

S

N

Q

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D

D

K

-

R

-

W

-

K

-

T

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L

-

D

-

S

-

D

-

Y

-

E

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N

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G

-

C

V

I

I

R

L

S

P

V

A

E

E

H

K

A

A

Y

L

T

T

Q

S

D

S

G

G

G

G

L

I

A

V

V

V

L

L

F

R

G

G

N

N

I

L

A

A

Q

P

D

K

G

G

C

A

I

V

V

L

K

K

T

P

A

S

G

A

I

A

D

S

E

P

S

H

M

L

L

L

E

-

V

-

E

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Q

-

L

-

Q

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Y

-

T

-

T

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-

S

-

T

-

I

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R

-

V

V

F

H

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K

G

G

P

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R

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I

V

Y

F

E

E

S

D

Q

I

D

D

A

D

A

Y

V

K

A

A

A

K

I

I

L

N

G

D

D

D

-

N

-

L

E

D

V

I

Q

D

K

E

G

N

D
x
C

V

I

V

M

L

V

I

M

R

K

Y

N

E
x
C

G

G

P

P

K

K

G

G

G

Y

P

P

G

G

M

M

Q

A

E
|
E

-

V

-

G

-

N

M

M

L

G

Y

L

P

P

T

P

S

K

Y

V

L

L

K

K

S

-

K

K

G

G

L

I

G

L

K

D

Y

M

C

V

A

R

L

-

L

I

T

S

D

D

G

A

R

R

F

M

S
|
S

G

G

G

T

T

A

S

Y

G

G

L

T

S

V

I

V

G

L

H

H

A

T

S

S

P

P

E

E

A

A

A

A

E

V

G

G

G

G

N

P

I

L

G

A

L

V

V

V

E

K

E

N

G

G

D

D

I

M

I

I

E

E

I

L

D

D

I

V

P

P

N

N

R

R

S

R

I

L

N

H

V

L

K

D

L

I

S

S

D

D

Y

E

E

E

L

L

S

A

Q

R

R

R

R

-

Q

-

K

-

M

-

L

L

A

A

K

E

G

-

D

-

K

-

A

-

W

W

K

Q

P

P

E

N

H

H

C59 (≠ G49) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (≠ D81) binding Mg(2+)
C127 (= C122) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D123) binding Mg(2+)
C200 (= C195) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (≠ D491) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ E498) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E508) binding Mg(2+)
S480 (= S534) mutation to A: Loss of activity.

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
31% identity, 96% coverage: 19:625/634 of query aligns to 20:551/569 of 8epzA

query
sites
8epzA

R

R

A

S

L

W

W

M

R

K

A

N

T

R

G

G

M

I

N

P

S

H

E

D

D

Q

F

F

-

D

G

G

K

R

P

P

I

V

I

I

A

G

I

I

A

C

N

N

S

T

F

F

T

S

Q

E

F

L

V

T

P

P

G
x
C

H

N

V

S

H

H

L

F

K

R

D

T

L

L

G

A

Q

E

L

Q

V

V

A

K

G

I

V

G

I

V

E

W

Q

E

S

S

G

G

G

G

V

F

A

P

K

L

E

E

F

F

N

P

T

V

I

M

A

S

V

L

D

G

D
x
E

G

T

I

M

A

-

M

L

G

R

H

P

D

T

G

A

M

M

L

L

Y

F

S

-

L

-

P

-

S

-

R

R

E

N

V

L

I

A

A

S

D

M

S

D

V

V

E

E

Y

E

M

S

V

I

N

R

A

G

H

N

C

P

A

L

D

D

A

G

L

V

V

V

C

L

I

L

S

M

N

G

C
|
C

D
|
D

K
|
K

I

T

T

T

P

P

G

S

M

L

L

M

M

M

A

G

A

A

M

A

R

S

L

C

N

D

I

L

P

P

T

T

I

I

F

G

V

V

S

S

G

G

G

G

P

P

M

M

E

L

S

S

G

G

K

K

-

F

-

R

-

G

T

R

V

E

I

L

G

G

G

S

Q

G

T

T

I

-

K

-

L

-

D

-

L

-

V

-

D

D

A

V

M

W

V

K

M

M

A

S

A

E

D

E

-

V

-

R

-

A

D

G

K

Q

V

M

T

S

D

Q

E

E

E

E

V

F

E

F

S

E

V

A

E

E

V

S

S

C

A

M

C

H

P

R

T

S

C

H

G

G

S

H

C
|
C

S

M

G

T

M

M

F

G

T

T

A

A

N

S

S

T

M

M

N

A

C

S

L

M

A

V

E

E

A

A

L

L

G

G

M

M

A

S

L

L

P

P

G

G

N

N

G

A

S

A

A

I

L

P

A

A

T

V

H

D

A

A

D

R

R

R

K

N

H

L

L

L

F

A

E

R

E

A

A

S

G

G

R

R

R

R

I

I

V

V

E

Q

I

M

A

V

K

K

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

L

L

V

P

M

R

S

S

K

I

I

A

L

T

T

F

R

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

R

L

V

D

N

V

A

A

A

M

I

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

I

H

H

L

L

L

L

A

A

V

I

A

A

H

G

E

R

A

I

G

G

V

V

E

D

F

L

T

T

M

L

S

A

D

D

I

W

D

D

A

A

M

L

S

G

R

H

R

K

V

L

P

P

C

C

L

L

S

V

K

D

V

L

A

Q

P

P

N

-

S

S

K

G

I

T

Y

H

H

L

M

M

E

E

D

D

V

F

H

Y

R

Y

A

A

G

G

G

G

I

V

M

P

R

A

L

V

L

I

G

R

E

E

L

L

D

-

R

-

G

G

G

D

L

V

L

I

D

A

P

R

D

D

T

A

Y

L

T

T

V

V

H

N

S

G

S

Q

T

T

L

-

G

-

A

-

A

-

L

-

E

-

L

L

W

W

D

D

I

N

R

C

R

K

N

D

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

A

P

P

G

-

N

-

V

-

R

-

T

-

T

-

Q

-

A

-

F

-

S

-

Q

-

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

-

D

N

Y

W

E

N

N

R

G

E

C

V

I

I

R

H

S

A

V

F

E

N

H

E

A

P

Y

F

T

K

Q

T

D

E

G

A

G

G

L

I

A

A

V

V

L

L

F

R

G

G

N

N

I

L

A

C

Q

P

D

D

G

G

C

A

I

V

V

I

K

K

T

P

A

S

G

A

I

A

D

T

E

P

S

A

M

L

L

L

E

K

V

H

E

K

Q

G

L

R

Q

A

Y

V

T

-

T

-

S

-

V

-

P

-

T

-

S

-

T

-

I

-

R

-

V

V

F

F

S

E

G

N

P

S

T

E

R

H

I

M

Y

H

E

E

S

R

Q

M

D

D

A

-

A

-

V

-

A

-

A

-

I

-

L

-

G

-

D

D

E

E

-

N

-

L

-

D

V

V

Q

D

K

E

G

N

D

C

V

V

V

L

L

V

I

L

R

K

Y

N

E

C

G

G

P

P

K

R

G

G

G

Y

P

P

G

G

M

M

Q

A

E
|
E

-

A

-

G

-

N

M

M

L

P

Y

L

P

P

T

P

S

K

Y

I

L

L

K

R

S

-

K

K

G

G

L

I

G

T

K

D

Y

M

C

V

A

R

L

-

L

V

T

S

D

D

G

A

R

R

F

M

S

S

G

G

G

T

T

A

S

Y

G

G

L

T

S

V

I

V

G

L

H

H

A

V

S

A

P

P

E

E

A

A

A

A

E

A

G

G

G

G

N

P

I

L

G

A

L

L

V

V

E

Q

E

D

G

G

D

D

I

I

I

I

E

E

I

L

D

D

I

V

P

A

N

A

R

R

S

K

I

L

N

H

V

L

K

H

L

V

S

S

D

D

Y

E

E

E

L

L

S

A

Q

R

R

R

R

R

Q

E

K

-

M

-

L

-

A

-

K

-

G

-

D

-

K

-

A

A

W

W

K

Q

-

A

P

P

E

P

H

A

P

P

R

M

E

A

R

R

R

-

V

-

S

-

A

G

A

W

L

V

R

K

A

L

Y

Y

A

V

A

E

M

H

T

V

T

Q

S

Q

A

A

A

N

F

L

G

G

A

A

binding fe2/s2 (inorganic) cluster: C51 (≠ G49), C119 (= C122), D120 (= D123), C192 (= C195)
binding manganese (ii) ion: E83 (≠ D81), D120 (= D123), K121 (= K124), E443 (= E508)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg
31% identity, 96% coverage: 19:625/634 of query aligns to 19:550/568 of 8ej0A

query
sites
8ej0A

R

R

A

S

L

W

W

M

R

K

A

N

T

R

G

G

M

I

N

P

S

H

E

D

D

Q

F

F

-

D

G

G

K

R

P

P

I

V

I

I

A

G

I

I

A

C

N

N

S

T

F

F

T

S

Q

E

F

L

V

T

P

P

G
x
C

H

N

V

S

H

H

L

F

K

R

D

T

L

L

G

A

Q

E

L

Q

V

V

A

K

G

I

V

G

I

V

E

W

Q

E

S

S

G

G

G

G

V

F

A

P

K

L

E

E

F

F

N

P

T

V

I

M

A

S

V

L

D

G

D
x
E

G

T

I

M

A

-

M

L

G

R

H

P

D

T

G

A

M

M

L

L

Y

F

S

-

L

-

P

-

S

-

R

R

E

N

V

L

I

A

A

S

D

M

S

D

V

V

E

E

Y

E

M

S

V

I

N

R

A

G

H

N

C

P

A

L

D

D

A

G

L

V

V

V

C

L

I

L

S

M

N

G

C
|
C

D
|
D

K
|
K

I

T

T

T

P

P

G

S

M

L

L

M

M

M

A

G

A

A

M

A

R

S

L

C

N

D

I

L

P

P

T

T

I

I

F

G

V

V

S

S

G

G

G

G

P

P

M

M

E

L

S

S

G

G

K

K

-

F

-

R

-

G

T

R

V

E

I

L

G

G

G

S

Q

G

T

T

I

-

K

-

L

-

D

-

L

-

V

-

D

D

A

V

M
x
W

V

K

M

M

A

S

A

E

D

E

-

V

-

R

-

A

D

G

K

Q

V

M

T

S

D

Q

E

E

E

E

V

F

E

F

S

E

V

A

E

E

V

S

S

C

A

M

C

H

P

R

T

S

C

H

G

G

S

H

C
|
C

S

M

G

T

M

M

F

G

T
|
T

A

A

N

S

S

T

M

M

N

A

C

S

L

M

A

V

E

E

A

A

L

L

G

G

M

M

A

S

L

L

P

P

G

G

N

N

G

A

S

A

A

I

L

P

A

A

T

V

H

D

A

A

D

R

R

R

K

N

H

L

L

L

F

A

E

R

E

A

A

S

G

G

R

R

R

R

I

I

V

V

E

Q

I

M

A

V

K

K

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

L

L

V

P

M

R

S

S

K

I

I

A

L

T

T

F

R

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

R

L

V

D

N

V

A

A

A

M

I

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

I

H

H

L

L

L

L

A

A

V

I

A

A

H

G

E

R

A

I

G

G

V

V

E

D

F

L

T

T

M

L

S

A

D

D

I

W

D

D

A

A

M

L

S

G

R

H

R

K

V

L

P

P

C

C

L

L

S

V

K

D

V

L

A

Q

P

P

N

-

S

S

K

G

I

T

Y

H

H

L

M

M

E

E

D

D

V

F

H

Y

R

Y

A

A

G

G

G

G

I

V

M

P

R

A

L

V

L

I

G

R

E

E

L

L

D

-

R

-

G

G

G

D

L

V

L

I

D

A

P

R

D

D

T

A

Y

L

T

T

V

V

H

N

S

G

S

Q

T

T

L

-

G

-

A

-

A

-

L

-

E

-

L

L

W

W

D

D

I

N

R

C

R

K

N

D

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

A

P

P

G

-

N

-

V

-

R

-

T

-

T

-

Q

-

A

-

F

-

S

-

Q

-

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

-

D

N

Y

W

E

N

N

R

G

E

C

V

I

I

R

H

S

A

V

F

E

N

H

E

A

P

Y

F

T

K

Q

T

D

E

G

A

G

G

L

I

A

A

V

V

L

L

F

R

G

G

N

N

I

L

A

C

Q

P

D

D

G

G

C

A

I

V

V

I

K

K

T

P

A

S

G

A

I

A

D

T

E

P

S

A

M

L

L

L

E

K

V

H

E

K

Q

G

L

R

Q

A

Y

V

T

-

T

-

S

-

V

-

P

-

T

-

S

-

T

-

I

-

R

-

V

V

F

F

S

E

G

N

P

S

T

E

R

H

I

M

Y

H

E

E

S

R

Q

M

D

D

A

-

A

-

V

-

A

-

A

-

I

-

L

-

G

-

D

D

E

E

-

N

-

L

-

D

V

V

Q

D

K

E

G

N

D

C

V

V

V

L

L

V

I

L

R

K

Y

N

E

C

G

G

P

P

K

R

G

G

G

Y

P

P

G

G

M

M

Q

A

E
|
E

-

A

-

G

-

N

M

M

L

P

Y

L

P

P

T

P

S

K

Y

I

L

L

K

R

S

-

K

K

G

G

L

I

G

T

K

D

Y

M

C

V

A

R

L

-

L

V

T

S

D

D

G

A

R

R

F

M

S
|
S

G
|
G

G

T

T

A

S

Y

G

G

L

T

S

V

I

V

G

L

H

H

A

V

S

A

P

P

E

E

A

A

A

A

E

A

G

G

G

G

N

P

I

L

G

A

L

L

V

V

E

Q

E

D

G

G

D

D

I

I

I

I

E

E

I

L

D

D

I

V

P

A

N

A

R

R

S

K

I

L

N

H

V

L

K

H

L

V

S

S

D

D

Y

E

E

E

L

L

S

A

Q

R

R

R

R

R

Q

E

K

-

M

-

L

-

A

-

K

-

G

-

D

-

K

-

A

A

W

W

K

Q

-

A

P

P

E

P

H

A

P

P

R

M

E

A

R

R

R

-

V

-

S

-

A

G

A

W

L

V

R

K

A

L

Y

Y

A

V

A

E

M

H

T

V

T

Q

S

Q

A

A

A

N

F

L

G

G

A

A

binding bicarbonate ion: D119 (= D123), W161 (≠ M168), T196 (= T200), E442 (= E508), S469 (= S534), S469 (= S534), G470 (= G535)
binding fe2/s2 (inorganic) cluster: C50 (≠ G49), E82 (≠ D81), C118 (= C122), D119 (= D123), C191 (= C195)
binding magnesium ion: E82 (≠ D81), D119 (= D123), K120 (= K124), E442 (= E508)

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
32% identity, 90% coverage: 33:601/634 of query aligns to 40:536/576 of 5j85A

query
sites
5j85A

G

G

K

R

P

P

I

V

I

I

A

G

I

I

A

L

N

N

S

T

F

W

T

S

Q

D

F

M

V

T

P

P

G
x
C

H

N

V

G

H

H

L

L

K

R

D

E

L

L

G

A

Q

E

L

K

V

V

A

K

G

A

V

G

I

V

E

W

Q

E

S

A

G

G

G

G

V

F

A

P

K

L

E

E

F

V

N

P

T

V

I

F

A

S

V

A

D

S

D
x
E

G
x
N

I

-

A

T

M

F

G

R

H

P

D

T

G

A

M

M

L

M

Y

Y

S

-

L

-

P

-

S

-

R

R

E

N

V

L

I

A

A

A

D

L

S

A

V

V

E

E

Y

E

M

A

V

I

N

R

A

G

H

Q

C

P

A

M

D

D

A

G

L

C

V

V

C

L

I

L

S

V

N

G

C
|
C

D
|
D

K
|
K

I

T

T

T

P

P

G

S

M

L

L

L

M

M

A

G

A

A

M

A

R

S

L

C

N

D

I

L

P

P

T

S

I

I

F

V

V

V

S

T

G

G

G

G

P

P

M

M

E

L

S

N

G

G

-

Y

-

F

K

R

T

G

V

E

I

R

G

V

G

G

Q

S

T

G

I

T

K

H

L

L

D

W

L

K

V

F

D

S

A

E

M

M

V

V

M

K

A

A

A

G

D

E

D

-

K

-

V

M

T

T

D

Q

E

A

E

E

V

F

E

L

S

E

V

A

E

E

V

A

S

S

A

M

C

S

P

R

T

S

C

S

G

G

S
x
T

C
|
C

S

N

G

T

M

M

F

G

T
|
T

A

A

N

S

S

T

M

M

N

A

C

S

L

M

A

A

E

E

A

A

L

L

G

G

M

M

A

A

L

L

P

S

G

G

N

N

G

A

S

A

A

I

L

P

A

G

T

V

H

D

A

S

D

R

R

R

K

K

H

V

L

M

F

A

E

Q

E

L

A

T

G

G

R

R

R

R

I

I

V

V

E

Q

I

M

A

V

K

K

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

L

L

K

P

P

R

S

S

E

I

I

A

M

T

T

F

K

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

R

L

T

D

N

V

A

A

A

M

I

G

G

G

G

S

S

T

T

N

N

T

A

V

V

L

I

H

H

L

L

L

L

A

A

V

I

A

A

H

G

E

R

A

V

G

G

V

I

E

D

F

L

T

S

M

L

S

D

D

D

I

W

D

D

A

R

M

C

S

G

R

R

R

D

V

V

P

P

C

T

L

I

S

V

K

N

V

L

A

M

P

P

N

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S

G

K

K

I

-

Y

Y

H

L

M

M

E

E

D

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F

H

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A

A

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|
E

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H

binding fe2/s2 (inorganic) cluster: C56 (≠ G49), N89 (≠ G82), C124 (= C122), D125 (= D123), T196 (≠ S194), C197 (= C195)
binding magnesium ion: E88 (≠ D81), D125 (= D123), K126 (= K124), T202 (= T200), E450 (= E508)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
30% identity, 91% coverage: 10:585/634 of query aligns to 16:529/583 of Q1JUQ1

query
sites
Q1JUQ1

T

T

H

N

G

D

R

K

N

N

M

G

A

F

G

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Y

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|
C

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|
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R

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R

C47 (≠ A40) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (≠ G49) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C122) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C195) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (≠ E498) 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
29% identity, 90% coverage: 26:593/634 of query aligns to 28:543/587 of 7m3kA

query
sites
7m3kA

G

G

M

L

N

S

S

Q

E

E

D

E

F

L

-

Q

-

S

G

G

K

R

P

P

I

I

I

I

A

G

I

I

A

A

N

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S

T

F

G

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Q

D

F

L

V

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P

P

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x
C

H

N

V

R

H

H

L

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K

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L

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A

Q

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C
|
C

D

D

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L

L

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C

I

I

M

V

K

K

L

T

S

A

V

G

I

I

S

D

D

E

E

S

F

M

R

L

N

E

R

V

Y

E

L

Q

S

L

D

Q

A

Y

K

T

D

T

P

S

N

V

A

P

F

T

E

S

G

T

K

I

A

R

V

V

V

F

F

S

D

G

G

P

P

T

E

R

D

I

Y

Y

H

E

H

S

R

Q

I

D

D

A

D

A

P

V

A

A

L

A

-

I

-

L

-

G

-

D

-

E

E

V

I

Q

D

K

E

G

H

D

T

V

V

V

L

L

F

I

M

R

R

Y

G

E

A

G

G

P

P

K

I

G

G

G

Y

P

P

G

G

M

A

Q

A

E

E

M

V

-

V

-

N

L

M

Y

R

P

A

T

P

S

D

Y

Y

L

L

K

L

S

K

K

K

G

G

L

I

G

T

K

S

Y

-

C

L

A

P

L

C

L

I

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

T

S

S

G

G

S

L

P

S

S

I

I

G

L

H

N

A

A

S

S

P

P

E

E

A

A

A

A

E

A

G

G

G

G

N

G

I

L

G

A

L

I

V

L

E

K

E

T

G

G

D

D

I

R

I

V

E

R

I

I

D

D

I

L

P

G

N

R

R

G

S

T

I

A

N

D

V

I

K

L

L

I

S

S

D

D

Y

E

E

E

L

L

S

A

Q

E

R

R

R

R

Q

K

K

A

M

L

L

E

A

A

K

V

G

G

binding zinc ion: C53 (≠ G49), C121 (= C122)

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)
31% identity, 89% coverage: 26:587/634 of query aligns to 39:547/595 of Q9A9Z2

query
sites
Q9A9Z2

G

G

M

I

N

T

S

P

E

E

D

E

F

L

-

R

-

S

G

G

K

K

P

P

I

I

I

I

A

G

I

I

A

A

N

Q

S

T

F

G

T

S

Q

D

F

I

V

S

P

P

-
x
C

G

N

H

R

V

I

H

H

L

L

K

-

D

D

L

L

G

V

Q

Q

L

R

V

V

A

R

G

D

V

G

I

I

E

R

Q

D

S

A

G

G

G

G

V

I

A

P

K

M

E

E

F

F

N

P

T

V

I

H

A

P

V

I

D

F

D
x
E

G

N

I

C

A

R

M

R

G

P

H

T

D

A

G

A

M

L

L

D

Y

R

S

N

L

L

P

S

S

Y

R

L

E

G

V

L

I

V

A

E

D

-

S

-

V

-

E

-

Y

-

M

T

V

L

N

H

A

G

H

Y

C

P

A

I

D

D

A

A

L

V

V

V

C

L

I

T

S

T

N

G

C
|
C

D
|
D

K

K

I

T

T

T

P

P

G

A

M

G

L

I

M

M

A

A

A

A

M

T

R

T

L

V

N

N

I

I

P

P

T

A

I

I

F

V

V

L

S

S

G

G

G

G

P

P

M

M

E

L

S

D

G

G

-

W

-

H

-

E

K

N

T

E

V

L

I

V

G

G

G

S

Q

G

T

T

I

V

K

-

L

-

D

-

L

I

V

W

D

R

A

S

M

R

V

R

M

K

A

L

A

A

D

A

D

G

K

E

V

I

T

T

D

E

E

E

E

E

V

F

E

I

S

D

V

R

E

A

V

A

S

S

A

S

C

A

P

P

T

S

C

A

G

G

S

H

C
|
C

S

N

G

T

M

M

F

G

T

T

A

A

N

S

S

T

M

M

N

N

C

A

L

V

A

A

E

E

A

A

L

L

G

G

M

L

A

S

L

L

P

T

G

G

N

C

G

A

S

A

A

I

L

P

A

A

T

P

H

Y

A

R

D

E

R

R

K

G

H

Q

L

M

F

A

E

Y

E

K

A

T

G

G

R

Q

R

R

I

I

V

V

E

D

I

L

A

A

K

Y

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

V

L

K

P

P

R

L

S

D

I

I

A

L

T

T

F

K

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

A

L

L

D

V

V

A

A

A

M

A

G

G

G

G

S

S

T

T

N

N

T

A

V

Q

L

P

H

H

L

I

L

V

A

A

V

M

A

A

H

R

E

H

A

A

G

G

V

V

E

E

F

I

T

T

M

A

S

D

D

D

I

W

D

R

A

A

M

-

S

A

R

Y

R

D

V

I

P

P

C

L

L

I

S

V

K

N

V

M

A

Q

P

P

N

A

S

G

K

K

I

-

Y

Y

H

L

M

G

E

E

D

R

V

F

H

H

R

R

A

A

G

G

G

G

I

A

M

P

R

A

L

V

L

L

G

W

E

E

L

L

D

L

R

Q

G

Q

G

G

L

R

L

L

D

H

P

G

D

D

T

V

Y

L

T

T

V

V

H

T

S

G

S

K

T

T

L

M

G

S

A

E

A

N

L

L

E

Q

L

-

W

-

D

-

I

-

R

-

R

-

N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

-

P

-

G

-

N

-

V

G

R

R

T

E

T

T

Q

-

A

-

F

-

S

-

Q

-

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

S

D

D

Y

R

E

E

N

-

G

-

C

V

I

I

R

F

S

P

V

Y

E

H

H

E

A

P

Y

L

T

A

Q

E

D

K

G

A

G

G

L

F

A

L

V

V

L

L

F

K

G

G

N

N

I

L

A

F

Q

-

D

D

G

F

C

A

I

I

V

M

K

K

T

S

A

S

G

V

I

I

D

G

E

E

S

E

M

F

L

R

E

K

V

R

E

Y

Q

L

L

S

Q

Q

Y

P

-

G

T

Q

T

E

S

G

V

V

P

F

T

E

S

A

T

R

I

A

R

I

V

V

F

F

S

D

G

G

P

S

T

D

R

D

I

Y

Y

H

E

K

S

R

-

I

Q

N

D

D

A

P

A

A

V

L

A

-

A

-

I

-

L

-

G

-

D

-

E

E

V

I

Q

D

K

E

G

R

D
x
C

V

I

V

L

L

V

I

I

R

R

Y

G

E

A

G

G

P

P

K

I

G

G

G

W

P

P

G

G

M

S

Q

A

E
|
E

M

V

-

V

-

N

L

M

Y

Q

P

P

T

P

S

D

Y

H

L

L

K

L

S

K

K

K

G

G

L

I

G

-

K

M

Y

S

C

L

A

P

L

T

L

L

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

T

A

S

D

G

S

L

P

S

S

I

I

G

L

H

N

A

A

S

S

P

P

E

E

A

S

A

A

E

I

G

G

G

G

N

G

I

L

G

S

L

W

V

L

E

R

E

T

G

G

D

D

I

T

I

I

E

R

I

I

D

D

I

L

P

N

N

T

R

G

S

R

I

C

N

D

V

A

K

L

L

V

S

D

D

E

Y

A

E

T

L

I

S

A

Q

A

R

R

R

K

Q

Q

C64 (vs. gap) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (≠ D81) binding Mg(2+)
C132 (= C122) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D123) binding Mg(2+)
C205 (= C195) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (≠ D491) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E508) binding Mg(2+)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
31% identity, 89% coverage: 26:587/634 of query aligns to 33:541/589 of 5oynA

query
sites
5oynA

G

G

M

I

N

T

S

P

E

E

D

E

F

L

-

R

-

S

G

G

K

K

P

P

I

I

I

I

A

G

I

I

A

A

N

Q

S

T

F

G

T

S

Q

D

F

I

V

S

P

P

-
x
C

G

N

H

R

V

I

H

H

L

L

K

-

D

D

L

L

G

V

Q

Q

L

R

V

V

A

R

G

D

V

G

I

I

E

R

Q

D

S

A

G

G

G

G

V

I

A

P

K

M

E

E

F

F

N

P

T

V

I

H

A

P

V

I

D

F

D
x
E

G
x
N

I

C

A

R

M

R

G

P

H

T

D

A

G

A

M

L

L

D

Y

R

S

N

L

L

P

S

S

Y

R

L

E

G

V

L

I

V

A

E

D

-

S

-

V

-

E

-

Y

-

M

T

V

L

N

H

A

G

H

Y

C

P

A

I

D

D

A

A

L

V

V

V

C

L

I

T

S

T

N

G

C
|
C

D
|
D

K
|
K

I

T

T

T

P

P

G

A

M

G

L

I

M

M

A

A

A

A

M

T

R

T

L

V

N

N

I

I

P

P

T

A

I

I

F

V

V

L

S

S

G

G

G

G

P

P

M

M

E

L

S

D

G

G

-

W

-

H

-

E

K

N

T

E

V

L

I

V

G

G

G

S

Q

G

T

T

I

V

K

-

L

-

D

-

L

I

V

W

D

R

A

S

M

R

V

R

M

K

A

L

A

A

D

A

D

G

K

E

V

I

T

T

D

E

E

E

E

E

V

F

E

I

S

D

V

R

E

A

V

A

S

S

A

S

C

A

P

P

T

S

C

A

G

G

S

H

C
|
C

S

N

G

T

M

M

F

G

T

T

A

A

N

S

S

T

M

M

N

N

C

A

L

V

A

A

E

E

A

A

L

L

G

G

M

L

A

S

L

L

P

T

G

G

N

C

G

A

S

A

A

I

L

P

A

A

T

P

H

Y

A

R

D

E

R

R

K

G

H

Q

L

M

F

A

E

Y

E

K

A

T

G

G

R

Q

R

R

I

I

V

V

E

D

I

L

A

A

K

Y

E

-

Y

-

Y

-

E

-

K

-

D

-

N

-

D

D

K

D

V

V

L

K

P

P

R

L

S

D

I

I

A

L

T

T

F

K

S

Q

A

A

F

F

Q

E

N

N

A

A

V

I

A

A

L

L

D

V

V

A

A

A

M

A

G

G

G

G

S

S

T

T

N

N

T

A

V

Q

L

P

H

H

L

I

L

V

A

A

V

M

A

A

H

R

E

H

A

A

G

G

V

V

E

E

F

I

T

T

M

A

S

D

D

D

I

W

D

R

A

A

M

-

S

A

R

Y

R

D

V

I

P

P

C

L

L

I

S

V

K

N

V

M

A

Q

P

P

N

A

S

G

K

K

I

-

Y

Y

H

L

M

G

E

E

D

R

V

F

H

H

R

R

A

A

G

G

G

G

I

A

M

P

R

A

L

V

L

L

G

W

E

E

L

L

D

L

R

Q

G

Q

G

G

L

R

L

L

D

H

P

G

D

D

T

V

Y

L

T

T

V

V

H

T

S

G

S

K

T

T

L

M

G

S

A

E

A

N

L

L

E

Q

L

-

W

-

D

-

I

-

R

-

R

-

N

-

P

-

S

-

E

-

A

-

V

-

K

-

K

-

F

-

Y

-

L

-

A

-

A

-

P

-

G

-

N

-

V

G

R

R

T

E

T

T

Q

-

A

-

F

-

S

-

Q

-

D

-

K

-

R

-

W

-

K

-

T

-

L

-

D

-

S

S

D

D

Y

R

E

E

N

-

G

-

C

V

I

I

R

F

S

P

V

Y

E

H

H

E

A

P

Y

L

T

A

Q

E

D

K

G

A

G

G

L

F

A

L

V

V

L

L

F

K

G

G

N

N

I

L

A

F

Q

-

D

D

G

F

C

A

I

I

V

M

K

K

T

S

A

S

G

V

I

I

D

G

E

E

S

E

M

F

L

R

E

K

V

R

E

Y

Q

L

L

S

Q

Q

Y

P

-

G

T

Q

T

E

S

G

V

V

P

F

T

E

S

A

T

R

I

A

R

I

V

V

F

F

S

D

G

G

P

S

T

D

R

D

I

Y

Y

H

E

K

S

R

-

I

Q

N

D

D

A

P

A

A

V

L

A

-

A

-

I

-

L

-

G

-

D

-

E

E

V

I

Q

D

K

E

G

R

D

C

V

I

V

L

L

V

I

I

R

R

Y

G

E

A

G

G

P

P

K

I

G

G

G

W

P

P

G

G

M

S

Q

A

E
|
E

M

V

-

V

-

N

L

M

Y

Q

P

P

T

P

S

D

Y

H

L

L

K

L

S

K

K

K

G

G

L

I

G

-

K

M

Y

S

C

L

A

P

L

T

L

L

T

G

D

D

G

G

R

R

F

Q

S

S

G

G

G

T

T

A

S

D

G

S

L

P

S

S

I

I

G

L

H

N

A

A

S

S

P

P

E

E

A

S

A

A

E

I

G

G

G

G

N

G

I

L

G

S

L

W

V

L

E

R

E

T

G

G

D

D

I

T

I

I

E

R

I

I

D

D

I

L

P

N

N

T

R

G

S

R

I

C

N

D

V

A

K

L

L

V

S

D

D

E

Y

A

E

T

L

I

S

A

Q

A

R

R

R

K

Q

Q

binding fe2/s2 (inorganic) cluster: C58 (vs. gap), N91 (≠ G82), C126 (= C122), D127 (= D123), C199 (= C195)
binding magnesium ion: E90 (≠ D81), D127 (= D123), K128 (= K124), E461 (= E508)

Query Sequence

>WP_013834773.1 NCBI__GCF_000214825.1:WP_013834773.1
MPAYRSRTSTHGRNMAGARALWRATGMNSEDFGKPIIAIANSFTQFVPGHVHLKDLGQLV
AGVIEQSGGVAKEFNTIAVDDGIAMGHDGMLYSLPSREVIADSVEYMVNAHCADALVCIS
NCDKITPGMLMAAMRLNIPTIFVSGGPMESGKTVIGGQTIKLDLVDAMVMAADDKVTDEE
VESVEVSACPTCGSCSGMFTANSMNCLAEALGMALPGNGSALATHADRKHLFEEAGRRIV
EIAKEYYEKDNDKVLPRSIATFSAFQNAVALDVAMGGSTNTVLHLLAVAHEAGVEFTMSD
IDAMSRRVPCLSKVAPNSKIYHMEDVHRAGGIMRLLGELDRGGLLDPDTYTVHSSTLGAA
LELWDIRRNPSEAVKKFYLAAPGNVRTTQAFSQDKRWKTLDSDYENGCIRSVEHAYTQDG
GLAVLFGNIAQDGCIVKTAGIDESMLEVEQLQYTTSVPTSTIRVFSGPTRIYESQDAAVA
AILGDEVQKGDVVLIRYEGPKGGPGMQEMLYPTSYLKSKGLGKYCALLTDGRFSGGTSGL
SIGHASPEAAEGGNIGLVEEGDIIEIDIPNRSINVKLSDYELSQRRQKMLAKGDKAWKPE
HPRERRVSAALRAYAAMTTSAAFGAVRRVEQIEK

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