SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_019894564.1 NCBI__GCF_000384235.1:WP_019894564.1 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)

6ovtA Crystal structure of ilvd from mycobacterium tuberculosis (see paper)
40% identity, 98% coverage: 5:609/618 of query aligns to 7:560/562 of 6ovtA

query
sites
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 (= E491)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
40% identity, 98% coverage: 5:609/618 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 (= E491) binding Mg(2+)
S491 (= S517) mutation to A: Loss of catalytic activity.

Q9LIR4 Dihydroxy-acid dehydratase, chloroplastic; AthDHAD; DAD; EC 4.2.1.9 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
37% identity, 98% coverage: 4:611/618 of query aligns to 56:607/608 of Q9LIR4

query
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Q9LIR4

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T

G
x
C

H

N

V

M

H

H

L

L

K

L

D

K

M

L

G

S

Q

E

L

A

V

V

A

K

R

E

V

G

I

V

E

E

E

N

A

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

D

D

L

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

C

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

M

I

M

M

A

A

T

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

T

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

H

T

F

V

-

L

-

G

-

G

-

E

Q

G

D

I

K

K

T

L

Y

D

D

L

I

V

V

D

S

A

A

M

F

V

Q

K

S

A

Y

A

G

D

E

-

F

-

V

-

S

E

G

S

S

C

I

S

S

D

D

A

E

D

Q

V

R

T

K

T

T

I

V

E

L

E

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

I

M

A

S

L

L

P

P

G

Y

N

S

G

S

T

S

T

I

L

P

A

A

T

E

H

D

S

P

D

L

R

K

R

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

S

L

K

K

A

M

Y

D

Y

L

Q

K

D

-

N

-

D

-

E

-

R

-

V

-

L

-

P

P

R

R

S

D

I

I

A

I

T

T

Y

P

E

K

A

S

F

L

Q

R

N

N

A

A

M

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

I

I

A

A

R

R

E

S

T

V

G

G

V

L

H

E

F

L

N

T

M

L

S

D

D

D

I

F

D

Q

H

K

I

V

S

S

R

D

K

A

V

V

P

P

C

F

L

L

A

A

K

D

V

L

A

K

P

P

N

S

S

G

Q

K

D

-

Y

Y

Y

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

I

V

L

L

G

R

E

Y

L

L

D

L

R

E

G

L

G

G

L

L

I

M

D

D

R

G

D

D

V

C

Y

M

T

T

V

V

H

T

A

G

S

Q

T

T

M

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

T

-

R

-

T

-

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

-

A

-

P

-

G

-

N

N

V

V

R

-

T

-

T

-

Q

-

A

-

F

-

S

-

Q

-

S

-

K

-

R

-

W

-

K

P

S

S

L

L

D

T

D

E

D

G

D

Q

K

E

N

-

G

-

C

I

I

I

R

R

S

P

V

L

E

S

N

N

A

P

Y

I

T

K

K

E

E

T

G

G

G

H

L

I

A

Q

V

I

L

L

Y

R

G

G

N

D

I

L

A

A

A

P

E

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

V

-

D

K

E

E

S

G

I

L

F

Y

K

-

F

F

T

S

G

G

P

P

A

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

E

A

G

A

V

I

L

-

N

S

G

A

D

D

V

P

K

M

S

S

-

F

-

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

Q

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

C

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

T

I

I

I

E

T

I

I

D

D

I

I

P

G

N

K

R

K

T

R

I

I

E

D

V

T

K

Q

L

V

T

S

D

P

E

E

E

E

L

M

A

N

E

D

R

R

R

R

Q

K

A

-

M

-

H

-

E

-

K

-

G

-

R

-

D

-

A

K

W

W

K

T

-

A

P

P

A

A

L

Y

P

K

R

V

K

N

R

R

K

G

V

V

S

-

A

-

A

-

L

L

R

Y

A

K

Y

Y

A

I

A

K

M

N

T

V

T

Q

S

S

A

A

A

S

Y

D

G

G

A

C

V

V

R

T

D

D

C100 (≠ G49) binding [2Fe-2S] cluster
C173 (= C122) binding [2Fe-2S] cluster
D174 (= D123) binding Mg(2+)
C245 (= C195) binding [2Fe-2S] cluster
E497 (= E491) binding Mg(2+)

8hs0A The mutant structure of dhad v178w
37% identity, 98% coverage: 4:611/618 of query aligns to 18:569/570 of 8hs0A

query
sites
8hs0A

Y

Y

R

S

S

S

K

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

G

S

T

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

M

L

G

S

Q

E

L

A

V

V

A

K

R

E

V

G

I

V

E

E

E

N

A

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

D

D

L

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

C

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

M

I

M

M

A

A

T

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

T

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

H

T

F

V

-

L

-

G

-

G

-

E

Q

G

D

I

K

K

T

L

Y

D

D

L

I

V

W

D

S

A

A

M

F

V

Q

K

S

A

Y

A

G

D

E

-

F

-

V

-

S

E

G

S

S

C

I

S

S

D

D

A

E

D

Q

V

R

T

K

T

T

I

V

E

L

E

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

I

M

A

S

L

L

P

P

G

Y

N

S

G

S

T

S

T

I

L

P

A

A

T

E

H

D

S

P

D

L

R

K

R

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

S

L

K

K

A

M

Y

D

Y

L

Q

K

D

-

N

-

D

-

E

-

R

-

V

-

L

-

P

P

R

R

S

D

I

I

A

I

T

T

Y

P

E

K

A

S

F

L

Q

R

N

N

A

A

M

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

I

I

A

A

R

R

E

S

T

V

G

G

V

L

H

E

F

L

N

T

M

L

S

D

D

D

I

F

D

Q

H

K

I

V

S

S

R

D

K

A

V

V

P

P

C

F

L

L

A

A

K

D

V

L

A

K

P

P

N

S

S

G

Q

K

D

-

Y

Y

Y

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

I

V

L

L

G

R

E

Y

L

L

D

L

R

E

G

L

G

G

L

L

I

M

D

D

R

G

D

D

V

C

Y

M

T

T

V

V

H

T

A

G

S

Q

T

T

M

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

T

-

R

-

T

-

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

-

A

-

P

-

G

-

N

N

V

V

R

-

T

-

T

-

Q

-

A

-

F

-

S

-

Q

-

S

-

K

-

R

-

W

-

K

P

S

S

L

L

D

T

D

E

D

G

D

Q

K

E

N

-

G

-

C

I

I

I

R

R

S

P

V

L

E

S

N

N

A

P

Y

I

T

K

K

E

E

T

G

G

G

H

L

I

A

Q

V

I

L

L

Y

R

G

G

N

D

I

L

A

A

A

P

E

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

V

-

D

K

E

E

S

G

I

L

F

Y

K

-

F

F

T

S

G

G

P

P

A

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

E

A

G

A

V

I

L

-

N

S

G

A

D

D

V

P

K

M

S

S

-

F

-

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

Q

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

C

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

T

I

I

I

E

T

I

I

D

D

I

I

P

G

N

A

R

A

T

R

I

I

E

D

V

T

K

Q

L

V

T

S

D

P

E

E

E

E

L

M

A

N

E

D

R

R

R

R

Q

K

A

-

M

-

H

-

E

-

K

-

G

-

R

-

D

-

A

K

W

W

K

T

-

A

P

P

A

A

L

Y

P

K

R

V

K

N

R

R

K

G

V

V

S

-

A

-

A

-

L

L

R

Y

A

K

Y

Y

A

I

A

K

M

N

T

V

T

Q

S

S

A

A

A

S

Y

D

G

G

A

C

V

V

R

T

D

D

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, 98% coverage: 4:611/618 of query aligns to 15:522/523 of 8imuA

query
sites
8imuA

Y

Y

R

S

S

S

K

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

G

S

T

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

M

L

G

S

Q

E

L

A

V

V

A

K

R

E

V

G

I

V

E

E

E

N

A

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

D

D

L

L

I

I

A

A

D

D

S

S

V

I

E

E

Y

T

M

V

C

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

M

I

M

M

A

A

T

M

M

G

R

R

L

L

N

N

I

R

P

P

T

G

I

I

F

M

V

V

T

Y

G

G

G

G

P

T

M

I

E

K

S

P

G

G

K

-

T

-

V

-

L

-

G

-

G

-

E

-

G

-

I

-

K

-

L

-

D

-

L

-

V

-

D

-

A

-

M

-

V

-

K

-

A

-

A

-

D

-

E

-

S

-

C

-

S

-

D

-

A

-

D

-

V

-

T

-

T

-

I

-

E

-

E

-

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

I

M

A

S

L

L

P

P

G

Y

N

S

G

S

T

S

T

I

L

P

A

A

T

E

H

D

S

P

D

L

R

K

R

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

S

L

K

K

A

M

Y

D

Y

L

Q

K

D

-

N

-

D

-

E

-

R

-

V

-

L

-

P

P

R

R

S

D

I

I

A

I

T

T

Y

P

E

K

A

S

F

L

Q

R

N

N

A

A

M

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

I

I

A

A

R

R

E

S

T

V

G

G

V

L

H

E

F

L

N

T

M

L

S

D

D

D

I

F

D

Q

H

K

I

V

S

S

R

D

K

A

V

V

P

P

C

F

L

L

A

A

K

D

V

L

A

K

P

P

N

S

S

G

Q

K

D

-

Y

Y

Y

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

I

V

L

L

G

R

E

Y

L

L

D

L

R

E

G

L

G

G

L

L

I

M

D

D

R

G

D

D

V

C

Y

M

T

T

V

V

H

T

A

G

S

Q

T

T

M

L

G

A

A

Q

A

N

L

L

E

E

L

-

W

-

D

-

I

-

T

-

R

-

T

-

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

-

A

-

P

-

G

-

N

N

V

V

R

-

T

-

T

-

Q

-

A

-

F

-

S

-

Q

-

S

-

K

-

R

-

W

-

K

P

S

S

L

L

D

T

D

E

D

G

D

Q

K

E

N

-

G

-

C

I

I

I

R

R

S

P

V

L

E

S

N

N

A

P

Y

I

T

K

K

E

E

T

G

G

G

H

L

I

A

Q

V

I

L

L

Y

R

G

G

N

D

I

L

A

A

A

P

E

D

G

G

C

S

I

V

V

A

K

K

T

I

A

T

G

G

V

-

D

K

E

E

S

G

I

L

F

Y

K

-

F

F

T

S

G

G

P

P

A

A

R

L

I

V

Y

F

E

E

S

G

Q

E

D

E

A

S

A

M

V

L

E

A

G

A

V

I

L

-

N

S

G

A

D

D

V

P

K

M

S

S

-

F

-

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

Q

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

C

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

T

I

I

I

E

T

I

I

D

D

I

I

P

G

N

A

R

A

T

R

I

I

E

D

V

T

K

Q

L

V

T

S

D

P

E

E

E

E

L

M

A

N

E

D

R

R

R

R

Q

K

A

-

M

-

H

-

E

-

K

-

G

-

R

-

D

-

A

K

W

W

K

T

-

A

P

P

A

A

L

Y

P

K

R

V

K

N

R

R

K

G

V

V

S

-

A

-

A

-

L

L

R

Y

A

K

Y

Y

A

I

A

K

M

N

T

V

T

Q

S

S

A

A

A

S

Y

D

G

G

A

C

V

V

R

T

D

D

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

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg
32% identity, 89% coverage: 19:571/618 of query aligns to 19:523/568 of 8ej0A

query
sites
8ej0A

R

R

A

S

L

W

W

M

R

K

A

N

T

R

G

G

M

I

G

P

T

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

M

L

G

A

Q

E

L

Q

V

V

A

K

R

I

V

G

I

V

E

W

E

E

A

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

D

N

L

L

I

A

A

S

D

M

S

D

V

V

E

E

Y

E

M

S

C

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

M

M

M

M

A

G

T

A

M

A

R

S

L

C

N

D

I

L

P

P

T

T

I

I

F

G

V

V

T

S

G

G

G

G

P

P

M

M

E

L

S

S

G

G

K

K

T

F

V

R

L

G

G

R

G

E

E

L

G

G

I

S

K

G

L

T

D

D

L

V

V
x
W

D

K

A

M

M

S

V

E

K

E

A

V

A

R

D

A

E

G

S

Q

C

M

S

S

D

Q

A

E

D

E

V

F

T

F

T

E

I

A

E

E

E

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

I

M

A

S

L

L

P

P

G

G

N

N

G

A

T

A

T

I

L

P

A

A

T

V

H

D

S

A

D

R

R

R

R

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

S

V

K

K

A

-

Y

-

Y

-

Q

-

D

-

N

-

D

D

E

D

R

L

V

V

L

M

P

S

R

K

S

-

I

I

A

L

T

T

Y

R

E

Q

A

A

F

F

Q

E

N

N

A

A

M

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

I

I

A

A

R

G

E

R

T

I

G

G

V

V

H

D

F

L

N

T

M

L

S

A

D

D

I

W

D

D

H

A

I

L

S

G

R

H

K

K

V

L

P

P

C

C

L

L

A

V

K

D

V

L

A

Q

P

P

N

-

S

S

Q

G

D

T

Y

H

Y

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

I

V

L

I

G

R

E

E

L

L

D

-

R

-

G

G

G

D

L

V

I

I

D

A

R

R

D

D

V

A

Y

L

T

T

V

V

H

N

A

G

S

Q

T

T

M

-

G

-

A

-

A

-

L

-

E

-

L

L

W

W

D

D

I

N

T

C

R

K

T

D

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

A

A

P

P

N

G

W

N

N

V

R

R

E

T

V

T

I

Q

H

A

A

F

F

S

N

Q

E

S

P

K

-

R

-

W

-

K

-

S

-

L

-

D

-

D

-

D

-

D

-

K

-

N

-

G

-

C

-

I

-

R

-

S

-

V

-

E

-

N

-

A

-

Y

F

T

K

K

T

E

E

G

A

G

G

L

I

A

A

V

V

L

L

Y

R

G

G

N

N

I

L

A

C

A

P

E

D

G

G

C

A

I

V

V

I

K

K

T

P

A

S

G

A

V

A

D

T

E

P

S

A

I

L

F

L

K

K

F

H

T

K

G

G

P

R

A

A

R

V

I

V

Y

F

E

E

S

N

Q

S

D

E

A

H

A

M

V

H

E

E

G

R

V

M

-

D

-

D

L

E

N

N

G

L

D

D

V

V

K

D

S

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

-

K

T

Q

D

C

M

A

V

L

R

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

C

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

T

I

I

I

E

E

I

L

D

D

I

V

P

A

N

A

R

R

T

K

I

L

E

H

V

L

K

H

L

V

T

S

D

D

E

E

E

E

L

L

A

A

E

R

R

R

R

R

Q

E

A

A

binding bicarbonate ion: D119 (= D123), W161 (≠ V165), T196 (= T200), E442 (= E491), S469 (= S517), S469 (= S517), G470 (= G518)
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 (= E491)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
32% identity, 89% coverage: 19:571/618 of query aligns to 20:524/569 of 8epzA

query
sites
8epzA

R

R

A

S

L

W

W

M

R

K

A

N

T

R

G

G

M

I

G

P

T

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

M

L

G

A

Q

E

L

Q

V

V

A

K

R

I

V

G

I

V

E

W

E

E

A

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

D

N

L

L

I

A

A

S

D

M

S

D

V

V

E

E

Y

E

M

S

C

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

M

M

M

M

A

G

T

A

M

A

R

S

L

C

N

D

I

L

P

P

T

T

I

I

F

G

V

V

T

S

G

G

G

G

P

P

M

M

E

L

S

S

G

G

K

K

T

F

V

R

L

G

G

R

G

E

E

L

G

G

I

S

K

G

L

T

D

D

L

V

V

W

D

K

A

M

M

S

V

E

K

E

A

V

A

R

D

A

E

G

S

Q

C

M

S

S

D

Q

A

E

D

E

V

F

T

F

T

E

I

A

E

E

E

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

I

M

A

S

L

L

P

P

G

G

N

N

G

A

T

A

T

I

L

P

A

A

T

V

H

D

S

A

D

R

R

R

R

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

S

V

K

K

A

-

Y

-

Y

-

Q

-

D

-

N

-

D

D

E

D

R

L

V

V

L

M

P

S

R

K

S

-

I

I

A

L

T

T

Y

R

E

Q

A

A

F

F

Q

E

N

N

A

A

M

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

I

I

A

A

R

G

E

R

T

I

G

G

V

V

H

D

F

L

N

T

M

L

S

A

D

D

I

W

D

D

H

A

I

L

S

G

R

H

K

K

V

L

P

P

C

C

L

L

A

V

K

D

V

L

A

Q

P

P

N

-

S

S

Q

G

D

T

Y

H

Y

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

I

V

L

I

G

R

E

E

L

L

D

-

R

-

G

G

G

D

L

V

I

I

D

A

R

R

D

D

V

A

Y

L

T

T

V

V

H

N

A

G

S

Q

T

T

M

-

G

-

A

-

A

-

L

-

E

-

L

L

W

W

D

D

I

N

T

C

R

K

T

D

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

A

A

P

P

N

G

W

N

N

V

R

R

E

T

V

T

I

Q

H

A

A

F

F

S

N

Q

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S

P

K

-

R

-

W

-

K

-

S

-

L

-

D

-

D

-

D

-

D

-

K

-

N

-

G

-

C

-

I

-

R

-

S

-

V

-

E

-

N

-

A

-

Y

F

T

K

K

T

E

E

G

A

G

G

L

I

A

A

V

V

L

L

Y

R

G

G

N

N

I

L

A

C

A

P

E

D

G

G

C

A

I

V

V

I

K

K

T

P

A

S

G

A

V

A

D

T

E

P

S

A

I

L

F

L

K

K

F

H

T

K

G

G

P

R

A

A

R

V

I

V

Y

F

E

E

S

N

Q

S

D

E

A

H

A

M

V

H

E

E

G

R

V

M

-

D

-

D

L

E

N

N

G

L

D

D

V

V

K

D

S

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

-

K

T

Q

D

C

M

A

V

L

R

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

C

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

T

I

I

I

E

E

I

L

D

D

I

V

P

A

N

A

R

R

T

K

I

L

E

H

V

L

K

H

L

V

T

S

D

D

E

E

E

E

L

L

A

A

E

R

R

R

R

R

Q

E

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 (= E491)

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, 87% coverage: 33:568/618 of query aligns to 43:531/579 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

M

L

G

A

Q

E

L

K

V

V

A

K

R

A

V

G

I

V

E

W

E

E

A

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

D

N

L

L

I

A

A

A

D

L

S

A

V

V

E

E

Y

E

M

A

C

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

M

L

M

M

A

G

T

A

M

A

R

S

L

C

N

D

I

L

P

P

T

S

I

I

F

V

V

V

T

T

G

G

G

G

P

P

M

M

E

L

S

N

G

G

-

Y

-

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K

R

T

G

V

E

L

R

G

V

G

G

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S

G

G

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T

K

H

L

L

D

W

L

K

V

F

D

S

A

E

M

M

V

V

K

K

A

A

A

G

D

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E

-

S

-

C

M

S

T

D

Q

A

A

D

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F

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L

T

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I

A

E

E

E

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

I

M

A

A

L

L

P

S

G

G

N

N

G

A

T

A

T

I

L

P

A

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H

D

S

S

D

R

R

R

R

K

H

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L

M

F

A

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Q

E

L

A

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G

G

R

R

R

R

I

I

V

V

E

Q

I

M

S

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K

K

A

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Y

-

Y

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Q

-

D

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N

-

D

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D

R

D

V

L

L

K

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P

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S

S

E

I

I

A

M

T

T

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K

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Q

A

A

F

F

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N

N

A

A

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A

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L

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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

I

I

A

A

R

G

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V

G

G

V

I

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D

F

L

N

S

M

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D

D

D

I

W

D

D

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I

C

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G

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V

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C

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L

I

A

V

K

N

V

L

A

M

P

P

N

S

S

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Q

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D

-

Y

Y

Y

L

M

M

E

E

D

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V

F

H

F

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Y

A

A

G

G

G

G

I

L

M

P

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V

I

V

L

L

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K

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R

L

L

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G

R

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A

G

G

L

L

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L

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A

Y

L

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V

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-

G

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A

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L

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W

W

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D

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D

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A

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V

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K

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A

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D

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D

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D

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N

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G

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I

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A

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N

K

A

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L

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T

K

S

E

S

G

G

G

G

L

I

A

V

V

V

L

L

Y

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G

G

N

N

I

L

A

A

A

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K

G

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C

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V

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K

K

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I

V

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F

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E

S

D

Q

I

D

D

A

D

A

Y

V

K

E

A

G

K

V

I

L

N

-

D

-

D

N

N

G

L

D

D

V

I

K

D

S

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

-

K

L

Q

D

C

M

A

V

L

R

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

C

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

T

M

I

I

E

E

I

L

D

D

I

V

P

P

N

N

R

R

T

R

I

L

E

H

V

L

K

D

L

I

T

S

D

D

E

E

E

E

L

L

A

A

E

R

R

R

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 (≠ D474) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ E481) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E491) binding Mg(2+)
S480 (= S517) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
32% identity, 87% coverage: 33:568/618 of query aligns to 40:528/576 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

M

L

G

A

Q

E

L

K

V

V

A

K

R

A

V

G

I

V

E

W

E

E

A

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

D

N

L

L

I

A

A

A

D

L

S

A

V

V

E

E

Y

E

M

A

C

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

M

L

M

M

A

G

T

A

M

A

R

S

L

C

N

D

I

L

P

P

T

S

I

I

F

V

V

V

T

T

G

G

G

G

P

P

M

M

E

L

S

N

G

G

-

Y

-

F

K

R

T

G

V

E

L

R

G

V

G

G

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S

G

G

I

T

K

H

L

L

D

W

L

K

V

F

D

S

A

E

M

M

V

V

K

K

A

A

A

G

D

E

E

-

S

-

C

M

S

T

D

Q

A

A

D

E

V

F

T

L

T

E

I

A

E

E

E

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

I

M

A

A

L

L

P

S

G

G

N

N

G

A

T

A

T

I

L

P

A

G

T

V

H

D

S

S

D

R

R

R

R

K

H

V

L

M

F

A

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Q

E

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A

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G

G

R

R

R

R

I

I

V

V

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Q

I

M

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K

K

A

-

Y

-

Y

-

Q

-

D

-

N

-

D

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D

R

D

V

L

L

K

P

P

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S

S

E

I

I

A

M

T

T

Y

K

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Q

A

A

F

F

Q

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N

N

A

A

M

I

A

R

L

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D

N

V

A

A

A

M

I

G

G

G

G

S

S

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T

N

N

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A

V

V

L

I

H

H

L

L

L

L

A

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I

A

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G

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D

F

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M

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D

D

D

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W

D

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I

C

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Y

Y

Y

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M

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F

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G

G

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M

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I

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L

L

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K

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L

L

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G

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A

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G

L

L

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H

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A

Y

L

T

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V

V

H

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A

G

S

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T

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M

-

G

-

A

-

A

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L

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L

V

W

W

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D

I

-

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D

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A

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N

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V

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N

Q

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D

K

-

R

-

W

-

K

-

S

-

L

-

D

-

D

-

D

-

D

-

K

-

N

-

G

-

C

V

I

I

R

L

S

P

V

A

E

E

N

K

A

A

Y

L

T

T

K

S

E

S

G

G

G

G

L

I

A

V

V

V

L

L

Y

R

G

G

N

N

I

L

A

A

A

P

E

K

G

G

C

A

I

V

V

L

K

K

T

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A

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G

A

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A

D

S

E

P

S

H

I

L

F

L

K

V

F

H

T

K

G

G

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R

A

A

R

V

I

V

Y

F

E

E

S

D

Q

I

D

D

A

D

A

Y

V

K

E

A

G

K

V

I

L

N

-

D

-

D

N

N

G

L

D

D

V

I

K

D

S

E

G

N

D

C

V

I

V

M

L

V

I

M

R

K

Y

N

E

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

-

K

L

Q

D

C

M

A

V

L

R

L

I

T

S

D

D

G

A

R

R

F

M

S

A

G

G

G

T

T

A

S

Y

G

G

L

T

S

V

I

V

G

L

H

H

C

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

T

M

I

I

E

E

I

L

D

D

I

V

P

P

N

N

R

R

T

R

I

L

E

H

V

L

K

D

L

I

T

S

D

D

E

E

E

E

L

L

A

A

E

R

R

R

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 (= E491)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
31% identity, 92% coverage: 2:568/618 of query aligns to 6:529/583 of Q1JUQ1

query
sites
Q1JUQ1

P

P

D

R

Y

L

R

R

S

S

K

T

T

Q

-

W

-

F

S

G

T

T

H

N

G

D

R

K

N

N

M

G

A

F

G

M

A

Y

R

R

A

S

L

W

W

M

R

K

A

N

T

Q

G

G

M

I

G

P

T

D

E

H

D

E

F

F

-

D

G

G

K

R

P

P

I

I

I

I

A

G

I

I

A
x
C

N

N

S

T

F

W

T

S

Q

E

F

L

V

T

P

P

G
x
C

H

N

V

A

H

H

L

F

K

R

D

K

M

L

G

A

Q

E

L

H

V

V

A

K

R

R

V

G

I

I

E

S

E

E

A

A

G

G

G

G

V

F

A

P

K

V

E

E

F

F

N

P

T

V

I

F

A

S

V

N

D

G

D

E

G

S

I

-

A

N

M

L

G

R

H

P

D

S

G

A

M

M

L

L

Y

-

S

-

L

-

P

-

S

T

R

R

D

N

L

L

I

A

A

S

D

M

S

D

V

V

E

E

Y

E

M

A

C

I

N

R

A

G

H

N

C

P

A

I

D

D

A

A

L

V

V

V

C

L

I

L

S

A

N

G

C
|
C

D

D

K

K

I

T

T

T

P

P

G

A

M

L

M

L

M

M

A

G

T

A

M

A

R

S

L

C

N

D

I

V

P

P

T

A

I

I

F

V

V

V

T

S

G

G

G

G

P

P

M

M

E

L

S

N

G

G

K

K

T

L

V

E

L

G

G

K

-

N

-

I

G

G

E

S

G

G

I

T

K

A

L

V

D

W

L

Q

V

L

D

H

A

E

M

A

V

L

K

K

A

A

A

G

D

E

E

I

S

D

C

V

S

H

D

H

A

-

D

-

V

F

T

L

T

S

I

A

E

E

E

A

S

G

A

M

C

S

P

R

T

S

C

A

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

C

L

M

A

A

E

E

A

A

L

L

G

G

I

V

A

A

L

L

P

P

G

H

N

N

G

A

T

A

T

I

L

P

A

A

T

V

H

D

S

S

D

R

R

R

R

Y

H

V

L

L

F

A

E

H

E

M

A

S

G

G

R

I

R

R

I

I

V

V

E

E

I

M

S

A

K

L

A

-

Y

-

Y

-

Q

-

D

-

N

-

D

-

E

E

R

G

V

L

L

V

P

L

R

S

S

K

I

I

A

L

T

T

Y

R

E

A

A

A

F

F

Q

E

N

N

A

A

M

I

A

R

L

A

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

K

A

A

I

I

A

A

R

G

E

R

T

I

G

G

V

V

H

P

F

L

N

E

M

L

S

E

D

D

I

W

D

M

H

R

I

I

S

G

R

R

K

D

V

T

P

P

C

T

L

I

A

V

K

D

V

L

A

M

P

P

N

S

S

G

Q

R

D

-

Y

F

Y

P

M

M

E

E

D

E

V

F

H

Y

R

Y

A

A

G

G

G

G

I

L

M

P

R

A

I

V

L

L

G

R

E

R

L

L

D

G

R

E

G

G

G

G

L

L

I

L

-

P

D

N

R

P

D

D

V

A

Y

L

T

T

V

V

H

N

A

G

S

K

T

S

M

-

G

-

A

-

A

-

L

-

E

-

L

L

W

W

D

D

I

-

T

-

R

-

T

-

D

-

D

-

E

-

A

-

V

-

K

-

T

-

F

-

F

-

R

-

A

-

A

-

P

-

G

-

N

N

V

V

R

R

T

E

T

A

Q

P

A

N

F

Y

S

D

Q

E

S

E

K

-

R

-

W

-

K

-

S

-

L

-

D

-

D

-

D

-

D

-

K

-

N

-

G

-

C

V

I

I

R

R

S

P

V

L

E

D

N

R

A

P

Y

L

T

I

K

A

E

D

G

G

G

G

L

I

A

R

V

I

L

L

Y

R

G

G

N

N

I

L

A

A

A

P

E

R

G

G

C

A

I

V

V

L

K

K

T

P

A

S

G

A

V

A

D

S

E

P

S

E

I

L

F

L

K

K

F

H

T

R

G

G

P

R

A

A

R

V

I

V

Y

F

E

E

S

N

Q

L

D

D

A

H

A

-

V

Y

E

K

G

A

V

T

L

I

N

N

G

D

-

E

-

A

-

L

D

D

V

I

K

D

S

A

G

S

D

S

V

V

V

M

L

V

I

L

R

K

Y

N

E
x
C

G

G

P

P

K

R

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

L

L

L

K

R

S

-

K

Q

G

G

L

V

G

-

K

K

Q

D

C

M

A

V

L

R

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

C

V

S

A

P

P

E

E

A

A

A

A

E

A

G

G

G

G

N

P

I

L

G

A

L

A

V

V

E

R

E

N

G

G

D

D

T

W

I

I

E

E

I

L

D

D

I

C

P

E

N

A

R

G

T

T

I

L

E

H

V

L

K

D

L

I

T

T

D

D

E

D

E

E

L

L

A

H

E

R

R

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 (≠ E481) 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
30% identity, 89% coverage: 26:576/618 of query aligns to 28:543/587 of 7m3kA

query
sites
7m3kA

G

G

M

L

G

S

T

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

Q

S

T

F

G

T

S

Q

D

F

L

V

S

P

P

G
x
C

H

N

V

R

H

H

L

H

K

L

D

E

M

L

G

A

Q

K

L

R

V

V

A

R

R

D

V

G

I

V

E

R

E

E

A

A

G

G

G

G

V

I

A

V

K

I

E

E

F

F

N

P

T

V

I

H

A

P

V

I

D

Q

D

E

G

T

I

G

A

K

M

R

G

P

H

T

D

A

G

G

M

L

L

-

Y

-

S

-

L

-

P

-

S

D

R

R

D

N

L

L

I

A

A

Y

D

L

S

G

V

L

E

V

Y

E

M

V

C

L

N

Y

A

G

H

Y

C

P

A

L

D

D

A

G

L

V

V

V

C

L

I

T

S

I

N

G

C
|
C

D

D

K

K

I

T

T

T

P

P

G

A

M

C

M

L

M

M

A

A

T

A

M

A

R

T

L

V

N

N

I

I

P

P

T

A

I

I

F

A

V

L

T

S

G

V

G

G

P

P

M

M

E

L

S

N

G

G

-

W

-

F

K

R

T

G

V

E

L

R

G

T

G

G

E

S

G

G

I

-

K

-

L

-

D

-

L

-

V

-

D

-

A

T

M

I

V

V

K

W

A

K

A

A

D

R

E

E

S

L

C

L

S

A

D

K

A

G

D

E

V

I

-

D

-

Y

-

Q

-

G

-

F

T

V

T

K

I

L

E

V

E

A

S

S

A

S

C

A

P

P

T

S

C

T

G

G

S

Y

C

C

S

N

G

T

M

M

F

G

T

T

A

A

N

T

S

T

M

M

N

N

C

S

L

L

A

A

E

E

A

A

L

L

G

G

I

M

A

Q

L

L

P

P

G

G

N

S

G

A

T

A

T

I

L

P

A

A

T

P

H

Y

S

R

D

D

R

R

R

Q

H

E

L

V

F

A

E

Y

E

L

A

M

G

G

R

R

R

R

I

I

V

V

E

E

I

M

S

V

K

H

A

-

Y

-

Y

-

Q

-

D

-

N

-

D

-

E

E

R

D

V

L

L

K

P

P

R

S

S

D

I

I

A

L

T

T

Y

K

E

E

A

A

F

F

Q

I

N

N

A

A

M

I

A

R

L

V

D

N

V

S

A

A

M

I

G

G

G

G

S

S

T

T

N

N

T

A

V

P

L

I

H

H

L

L

L

N

A

A

I

L

A

A

R

R

E

H

T

I

G

G

V

V

H

E

F

L

N

T

M

V

S

D

D

D

I

W

D

Q

H

K

I

Y

S

G

R

E

K

E

V

I

P

P

C

L

L

L

A

V

K

N

V

L

A

Q

P

P

N

-

S

A

Q

G

D

E

Y

Y

Y

L

M

G

E

E

D

D

V

Y

H

Y

R

H

A

A

G

G

G

G

I

V

M

P

R

A

I

V

L

V

G

N

E

Q

L

L

D

M

R

G

G

Q

G

G

L

L

I

I

D

H

R

E

D

D

V

A

Y

I

T

T

V

V

H

N

A

G

S

K

T

T

M

I

G

G

-

E

-

N

-

C

-

K

-

N

A

A

A

T

L

I

E

E

L

D

W

G

D

N

I

V

T

I

R

K

T

T

D

Y

D

D

E

Q

A

P

V

L

K

K

T

K

F

H

-

A

-

G

F

F

R

R

A

V

A

L

P

R

G

G

N

N

V

L

R

F

T

S

T

S

Q

A

A

I

F

M

S

K

Q

L

S

S

K

-

R

-

W

-

K

-

S

V

L

I

D

S

D

D

D

E

D

F

K

R

N

N

G

R

C

Y

I

L

R

S

S

D

V

A

E

K

N

D

A

P

Y

N

T

A

K

F

E

E

G

G

G

K

L

A

A

V

V

V

L

-

Y

-

G

-

N

-

I

-

A

-

A

-

E

-

G

-

C

-

I

-

V

-

K

-

T

-

A

-

G

-

V

-

D

-

E

-

S

-

I

-

F

-

K

-

F

F

T

D

G

G

P

P

A

E

R

D

I

Y

Y

H

E

H

S

R

-

I

Q

D

D

D

A

P

A

A

V

L

E

E

G

-

V

-

L

-

N

-

G

-

D

-

V

I

K

D

S

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

-

K

T

Q

S

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

C

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

T

R

I

V

E

R

I

I

D

D

I

L

P

G

N

R

R

G

T

T

I

A

E

D

V

I

K

L

L

I

T

S

D

D

E

E

E

E

L

L

A

A

E

E

R

R

R

R

Q

K

A

A

M

L

H

E

E

A

K

V

G

G

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

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
29% identity, 87% coverage: 33:570/618 of query aligns to 42:541/589 of 5oynA

query
sites
5oynA

G

G

K

K

P

P

I

I

I

I

A

G

I

I

A

A

N

Q

S

T

F

G

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D

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x
C

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E

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N

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|
C

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D

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A

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I

G

G

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N

G

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L

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R

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T

G

G

D

D

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T

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I

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D

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N

N

T

R

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T

D

D

E

E

A

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A

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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 (= E491)

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)
29% identity, 87% coverage: 33:570/618 of query aligns to 48:547/595 of Q9A9Z2

query
sites
Q9A9Z2

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

M

L

G

V

Q

Q

L

R

V

V

A

R

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D

V

G

I

I

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R

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D

A

A

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G

G

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I

A

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K

M

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E

F

F

N

P

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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

-

Y

-

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-

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D

R

R

D

N

L

L

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A

Y

D

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L

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Y

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A

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D

D

A

A

L

V

V

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C

L

I

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S

T

N

G

C
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C

D
|
D

K

K

I

T

T

T

P

P

G

A

M

G

M

I

M

M

A

A

T

A

M

T

R

T

L

V

N

N

I

I

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P

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A

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F

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V

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G

G

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L

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K

A

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A

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A

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D

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T

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T

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I

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A

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S

A

S

C

A

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P

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C

A

G

G

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C
|
C

S

N

G

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M

M

F

G

T

T

A

A

N

S

S

T

M

M

N

N

C

A

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A

A

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A

A

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L

G

G

I

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A

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L

L

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G

N

C

G

A

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A

T

I

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A

A

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H

Y

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D

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R

R

R

G

H

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L

M

F

A

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A

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G

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R

R

I

I

V

V

E

D

I

L

S

A

K

-

A

-

Y

-

Y

Y

Q

D

D

D

N

-

D

-

E

-

R

-

V

V

L

K

P

P

R

L

S

D

I

I

A

L

T

T

Y

K

E

Q

A

A

F

F

Q

E

N

N

A

A

M

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

I

M

A

A

R

R

E

H

T

A

G

G

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V

H

E

F

I

N

T

M

A

S

D

D

D

I

W

D

-

H

R

I

A

S

A

R

Y

K

D

V

I

P

P

C

L

L

I

A

V

K

N

V

M

A

Q

P

P

N

A

S

G

Q

K

D

-

Y

Y

Y

L

M

G

E

E

D

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V

F

H

H

R

R

A

A

G

G

G

G

I

A

M

P

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A

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L

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W

E

E

L

L

D

L

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Q

G

Q

G

G

L

R

I

L

D

H

R

G

D

D

V

V

Y

L

T

T

V

V

H

T

A

G

S

K

T

T

M

M

G

S

A

E

A

N

L

L

E

Q

L

G

W

-

D

-

I

-

T

R

R

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T

T

D

S

D

D

E

R

A

E

V

V

K

-

T

-

F

-

F

-

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-

A

-

A

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-

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-

N

-

V

-

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-

T

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T

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Q

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A

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F

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S

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Q

-

S

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R

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W

-

K

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S

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L

-

D

-

D

-

D

-

D

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K

-

N

-

G

-

C

-

I

I

R

F

S

P

V

Y

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H

N

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A

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Y

L

T

A

K

E

E

K

G

A

G

G

L

F

A

L

V

V

L

L

Y

K

G

G

N

N

I

L

A

-

A

F

E

D

G

F

C

A

I

I

V

M

K

K

T

S

A

S

G

V

V

I

D

G

E

E

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E

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F

F

R

K

K

-

R

-

Y

F

L

T

S

G

Q

P

P

A

G

R

Q

-

E

-

G

I

V

Y

F

E

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S

A

Q

R

D

A

A

I

A

V

V

F

E

D

G

G

V

S

L

D

N

D

G

Y

D

H

V

K

K

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S

I

G

N

D

D

-

P

-

A

-

L

-

E

-

I

-

D

-

E

-

R

-
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

Q

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

C

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

T

T

I

I

E

R

I

I

D

D

I

L

P

N

N

T

R

G

T

R

I

C

E

D

V

A

K

L

L

V

T

D

D

E

E

A

E

T

L

I

A

A

E

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 (vs. gap) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E491) binding Mg(2+)

Query Sequence

>WP_019894564.1 NCBI__GCF_000384235.1:WP_019894564.1
MPDYRSKTSTHGRNMAGARALWRATGMGTEDFGKPIIAIANSFTQFVPGHVHLKDMGQLV
ARVIEEAGGVAKEFNTIAVDDGIAMGHDGMLYSLPSRDLIADSVEYMCNAHCADALVCIS
NCDKITPGMMMATMRLNIPTIFVTGGPMESGKTVLGGEGIKLDLVDAMVKAADESCSDAD
VTTIEESACPTCGSCSGMFTANSMNCLAEALGIALPGNGTTLATHSDRRHLFEEAGRRIV
EISKAYYQDNDERVLPRSIATYEAFQNAMALDVAMGGSTNTVLHLLAIARETGVHFNMSD
IDHISRKVPCLAKVAPNSQDYYMEDVHRAGGIMRILGELDRGGLIDRDVYTVHASTMGAA
LELWDITRTDDEAVKTFFRAAPGNVRTTQAFSQSKRWKSLDDDDKNGCIRSVENAYTKEG
GLAVLYGNIAAEGCIVKTAGVDESIFKFTGPARIYESQDAAVEGVLNGDVKSGDVVLIRY
EGPKGGPGMQEMLYPTSYLKSKGLGKQCALLTDGRFSGGTSGLSIGHCSPEAAEGGNIGL
VEEGDTIEIDIPNRTIEVKLTDEELAERRQAMHEKGRDAWKPALPRKRKVSAALRAYAAM
TTSAAYGAVRDVDQVERH

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