SitesBLAST

Q0QLF3 Nicotinate dehydrogenase small FeS subunit; NDH; Nicotinic acid hydroxylase small FeS subunit; NAH; EC 1.17.1.5 from Eubacterium barkeri (Clostridium barkeri) (see paper)
39% identity, 95% coverage: 2:153/160 of query aligns to 6:157/157 of Q0QLF3

query
sites
Q0QLF3

F

I

K

N

F

L

Q

N

V

L

N

N

G

G

Q

E

M

A

R

R

I

S

V

I

G

V

D

-

V

T

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E

P

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L

W

D

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L

L

L

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E

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D

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F

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V

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K

F

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G

C
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C

G

S

G

E

G

G

F

E

C
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C

G

G

A

A

C
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C

T

T

V

V

H

I

L

F

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N

G

G

Q

D

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P

A

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C
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C

Q

C

L

M

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L

A

A

G

A

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A

D

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T

I

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E

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G

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A

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E

D

D

G

G

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-

P

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L

Q

Q

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C

W

F

V

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E

E

L

A

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C

G

G

Y

Y

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C

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G

Q

M

L

I

M

L

S

T

A

A

A

K

A

A

L

L

A

D

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K

N

N

P

P

H

D

P

P

T

T

D

D

A

E

D

E

I

I

D

T

A

V

A

A

M

M

S

S

G

G

N

N

I

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C
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C

R

R

C
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C

G

T

T

G

Y

Y

G

I

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K

I

I

R

H

R

A

A

A

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R

H

Y

A

A

A

V

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E

I

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C

A

A

D

N

C42 (= C39) binding [2Fe-2S] cluster
C47 (= C44) binding [2Fe-2S] cluster
C50 (= C47) binding [2Fe-2S] cluster
C62 (= C59) binding [2Fe-2S] cluster
C101 (= C97) binding [2Fe-2S] cluster
C104 (= C100) binding [2Fe-2S] cluster
C136 (= C132) binding [2Fe-2S] cluster
C138 (= C134) binding [2Fe-2S] cluster

1sb3C Structure of 4-hydroxybenzoyl-coa reductase from thauera aromatica (see paper)
41% identity, 93% coverage: 1:148/160 of query aligns to 4:151/161 of 1sb3C

query
sites
1sb3C

M

I

F

L

K

R

F

L

Q

T

V

L

N

N

G

G

Q

R

M

A

R

R

I

-

V

-

G

E

D

D

V

L

S

V

P

P

D

D

T

N

P

M

L

L

W

L

-

D

V

Y

L

L

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R

D

E

H

T

L

V

K

G

F

L

K

T

G

G

V

T

K

K

F
x
Q

G

G

C
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C

G

D

G

G

G
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G

F

E

C
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C

G
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G

A

A

C
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C

T

T

V

V

H

L

L

V

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D

G

D

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P

A

R

R

L

A

A

C
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C

Q

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L

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P

L

L

A

A

H

A

Q

V

V

A

A

G

G

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K

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E

T

T

I

V

E

E

G

S

L

L

S

A

P

T

D

Q

G

G

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T

-

L

H

S

P

K

L

L

Q

Q

R

A

A

A

W

F

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H

E

E

L

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Q

C
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C

G
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G

Y

F

C
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C

Q

T

S

P

G

G

Q

M

L

I

M

M

S

A

A

S

A

E

A

A

L

L

A

R

Q

K

N

N

P

P

H

S

P

P

T

S

D

R

A

D

D

E

I

I

D

K

A

A

M

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S

A

G

G

N

N

I

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C
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C

R

R

C
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C

G

T

T

G

Y

Y

G

V

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I

I

R

I

R

K

A

S

I

V

H

E

H

T

A

A

binding fe2/s2 (inorganic) cluster: Q39 (≠ F37), C41 (= C39), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C61 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C135 (= C132), C137 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q96), C137 (= C134)

5g5gA Escherichia coli periplasmic aldehyde oxidase (see paper)
44% identity, 92% coverage: 2:148/160 of query aligns to 12:173/175 of 5g5gA

query
sites
5g5gA

F

L

K

T

F

L

Q

K

V

V

N

N

G

G

Q

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M

T

R

E

I

Q

V

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G

-

D

E

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D

P

T

D

R

T

T

P

T

L

L

W

D

V

T

L

L

R

R

D

E

H

N

L

L

K

H

F

L

K

I

G

G

V

T

K

K

F

K

G
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G

C
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C

G
x
D

G

H

G
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G

F

Q

C
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C

G
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G

A

A

C
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C

T

T

V

V

H

L

L

V

D

N

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G

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A

A

C
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C

Q

-

L

L

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T

L

L

A

A

A

V

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M

-

H

A

Q

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G

H

A

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T

I

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G

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L

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G

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A

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C

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G

Y

Y

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C

Q

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S

G

G

Q

Q

L

I

M

C

S

S

A

S

A

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A

A

L

V

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L

A

K

Q

E

-

I

-

Q

-

D

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G

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I

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P

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S

-

H

-

V

-

T

-

V

-

D

-

L

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V

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S

N

A

P

P

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E

P

T

T

T

D

A

A

D

D

E

I

I

D

R

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M

M

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S

G

G

N

N

I

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C
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C

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R

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C

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T

A

Y

Y

G

A

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N

I

I

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L

R

A

A

A

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E

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D

A

A

binding fe2/s2 (inorganic) cluster: G47 (= G38), C48 (= C39), D49 (≠ G40), G51 (= G42), C53 (= C44), G54 (= G45), C56 (= C47), C68 (= C59), C107 (= C97), G108 (= G98), C110 (= C100), C157 (= C132), C159 (= C134)

P77165 Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA; EC 1.2.99.6 from Escherichia coli (strain K12) (see paper)
44% identity, 92% coverage: 2:148/160 of query aligns to 63:224/229 of P77165

query
sites
P77165

F

L

K

T

F

L

Q

K

V

V

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N

G

G

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M

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I

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G

-

D

E

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P

T

L

L

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D

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T

L

L

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R

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E

H

N

L

L

K

H

F

L

K

I

G

G

V

T

K

K

F

K

G

G

C
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C

G

D

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H

G

G

F

Q

C
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C

G
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G

A

A

C
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C

T

T

V

V

H

L

L

V

D

N

G

G

Q

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R

A

L

R

N

A

A

C
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C

Q

-

L

L

P

T

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S

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D

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A

A

A

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D

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Q

C
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C

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G

Y

Y

C
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C

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S

A

S

A

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A

A

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L

L

A

K

Q

E

-

I

-

Q

-

D

-

G

-

I

-

P

-

S

-

H

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D

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T

D

A

A

D

D

E

I

I

D

R

A

E

A

R

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M

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S

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G

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N

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R

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A

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A

C99 (= C39) binding [2Fe-2S] cluster
C104 (= C44) binding [2Fe-2S] cluster
G105 (= G45) binding [2Fe-2S] cluster
C107 (= C47) binding [2Fe-2S] cluster
C119 (= C59) binding [2Fe-2S] cluster
C158 (= C97) binding [2Fe-2S] cluster
C161 (= C100) binding [2Fe-2S] cluster
C208 (= C132) binding [2Fe-2S] cluster
C210 (= C134) binding [2Fe-2S] cluster

1dgjA Crystal structure of the aldehyde oxidoreductase from desulfovibrio desulfuricans atcc 27774 (see paper)
45% identity, 91% coverage: 6:150/160 of query aligns to 8:155/906 of 1dgjA

query
sites
1dgjA

V

V

N

N

G

G

Q

M

M

A

R

R

I

R

V

L

G

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D

L

V

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P

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N

T

D

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L

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L

L

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V

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F

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G

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C

G
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G

G

K

G
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G

F
x
Q

C
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C

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G

A

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C
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C

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D

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M

A

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A

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V

A

A

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L

E

E

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G

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G

S

A

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P

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A

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W

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A

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Q

C
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C

G
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G

Y

F

C
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C

Q

T

S

P

G

G

Q

F

L

I

M

V

S

S

A

A

A

K

A

A

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L

A

D

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E

N

N

P

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A

E

D

D

I

V

D

R

A

D

A

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M

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G

K

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H

N

N

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C
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C

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C

G

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G

Y

Y

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A

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A

I

I

binding fe2/s2 (inorganic) cluster: V38 (≠ F37), G39 (= G38), C40 (= C39), G41 (= G40), G43 (= G42), Q44 (≠ F43), C45 (= C44), G46 (= G45), C48 (= C47), R58 (= R57), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C137 (= C132), C139 (= C134)
binding pterin cytosine dinucleotide: Q99 (= Q96), C139 (= C134)

Sites not aligning to the query:

active site: 391, 427, 503, 507, 535, 869, 870
binding molybdenum (iv)oxide: 424, 535, 698, 869
binding pterin cytosine dinucleotide: 423, 424, 535, 652, 655, 656, 657, 658, 697, 698, 700, 702, 703, 799, 800, 803, 804, 807, 865, 866, 867, 868, 869

1ffuD Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava which lacks the mo-pyranopterin moiety of the molybdenum cofactor (see paper)
37% identity, 93% coverage: 1:149/160 of query aligns to 4:152/156 of 1ffuD

query
sites
1ffuD

M

I

F

I

K

T

F

V

Q

N

V

V

N

N

G

G

Q

K

M

A

R

Q

I

-

V

E

G

K

D

A

V

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E

P

P

D

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L

L

L

L

I

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F

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L

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D

E

H

E

L

L

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N

F

L

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T

G

G

V

A

K

H

F

I

G

G

C
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C

G

E

G

T

G
x
S

F
x
H

C
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C

G
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G

A

A

C
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C

T

T

V

V

H

D

L

I

D

D

G

G

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C
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C

Q

T

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H

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L

L

A

A

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A

Q

V

C

A

D

G

G

H

S

R

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T

I

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E

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G

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L

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A

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N

D

K

G

G

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L

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Q

R

E

A

G

W

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K

L

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Q

C
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C

G
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G

Y

F

C
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C

Q

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G

G

Q

M

L

L

M

M

S

R

A

A

A

Y

A

R

L

F

L

L

A

Q

Q

E

N

N

P

P

H

N

P

P

T

T

D

E

A

A

D

E

I

I

D

R

A

M

A

G

M

M

S

T

G

G

N

N

I

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C
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C

R

R

C
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C

G

T

T

G

Y

Y

G

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N

I

I

R

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R

K

A

A

I

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H

Q

H

Y

A

A

Q

R

binding fe2/s2 (inorganic) cluster: C41 (= C39), S44 (≠ G42), H45 (≠ F43), C46 (= C44), G47 (= G45), C49 (= C47), C61 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C135 (= C132), C137 (= C134)

1ffvA Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava (see paper)
37% identity, 93% coverage: 1:149/160 of query aligns to 3:151/155 of 1ffvA

query
sites
1ffvA

M

I

F

I

K

T

F

V

Q

N

V

V

N

N

G

G

Q

K

M

A

R

Q

I

-

V

E

G

K

D

A

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E

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L

L

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L

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F

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D

E

H

E

L

L

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N

F

L

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T

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G

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A

K

H

F
x
I

G

G

C
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C

G

E

G

T

G
x
S

F

H

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C

G
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G

A

A

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C

T

T

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V

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I

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D

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G

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A

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C

Q

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L

L

A

A

V

A

Q

V

C

A

D

G

G

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E

I

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T

T

I

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E

E

G

G

L

L

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N

D

K

G

G

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L

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H

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A

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Q

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E

A

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F

V

Y

E

K

L

E

D

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P

L

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Q

C
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C

G
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G

Y

F

C
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C

Q

T

S

P

G

G

Q

M

L

L

M

M

S

R

A

A

A

Y

A

R

L

F

L

L

A

Q

Q

E

N

N

P

P

H

N

P

P

T

T

D

E

A

A

D

E

I

I

D

R

A

M

A

G

M

M

S

T

G

G

N

N

I

L

C
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C

R

R

C
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C

G

T

T

G

Y

Y

G

Q

R

N

I

I

R

V

R

K

A

A

I

V

H

Q

H

Y

A

A

Q

R

binding fe2/s2 (inorganic) cluster: I38 (≠ F37), C40 (= C39), S43 (≠ G42), C45 (= C44), G46 (= G45), C48 (= C47), C60 (= C59), C99 (= C97), G100 (= G98), C102 (= C100), C134 (= C132), C136 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q98 (= Q96), C136 (= C134)

P19921 Carbon monoxide dehydrogenase small chain; CO dehydrogenase subunit S; CO-DH S; EC 1.2.5.3 from Afipia carboxidovorans (strain ATCC 49405 / DSM 1227 / KCTC 32145 / OM5) (Oligotropha carboxidovorans) (see 2 papers)
39% identity, 92% coverage: 2:148/160 of query aligns to 6:153/166 of P19921

query
sites
P19921

F

I

K

E

F

L

Q

T

V

I

N

N

G

G

Q

H

M

-

R

P

I

V

V

E

G

A

D

L

V

V

S

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

H

Q

L

Q

K

N

F

L

K

T

G

G

V

A

K

H

F

I

G

G

C
|
C

G

D

G

T

G

S

F

H

C
|
C

G

G

A

A

C
|
C

T

T

V

V

H

D

L

L

D

D

G

G

Q

M

P

S

A

V

R

K

A

S

C
|
C

Q

T

L

M

P

F

L

A

A

V

A

Q

V

A

A

N

G

G

H

A

R

S

I

I

T

T

I

I

E

E

G

G

L

M

S

A

-

A

P

P

D

D

G

G

S

T

-

L

H

S

P

A

L

L

Q

Q

R

E

A

G

W

F

V

R

E

M

L

M

D

H

V

G

P

L

Q

Q

C
|
C

G

G

Y

Y

C
|
C

Q

T

S

P

G

G

Q

M

L

I

M

M

S

R

A

S

A

H

A

R

L

L

A

Q

Q

E

N

N

P

P

H

S

P

P

T

T

D

E

A

A

D

E

I

I

D

R

A

F

A

G

M

I

S

G

G

G

N

N

I

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

Q

R

N

I

I

R

V

R

K

A

A

I

I

H

Q

H

Y

A

A

C42 (= C39) binding [2Fe-2S] cluster
C47 (= C44) binding [2Fe-2S] cluster
C50 (= C47) binding [2Fe-2S] cluster
C62 (= C59) binding [2Fe-2S] cluster
C102 (= C97) binding [2Fe-2S] cluster
C105 (= C100) binding [2Fe-2S] cluster
C137 (= C132) binding [2Fe-2S] cluster
C139 (= C134) binding [2Fe-2S] cluster

1n5wA Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
39% identity, 92% coverage: 2:148/160 of query aligns to 4:151/161 of 1n5wA

query
sites
1n5wA

F

I

K

E

F

L

Q

T

V

I

N

N

G

G

Q

H

M

-

R

P

I

V

V

E

G

A

D

L

V

V

S

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

H

Q

L

Q

K

N

F

L

K

T

G

G

V

A

K

H

F
x
I

G
|
G

C
|
C

G

D

G

T

G
x
S

F
x
H

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

H

D

L

L

D

D

G

G

Q

M

P

S

A

V

R

K

A

S

C
|
C

Q

T

L

M

P

F

L

A

A

V

A

Q

V

A

A

N

G

G

H

A

R

S

I

I

T

T

I

I

E

E

G

G

L

M

S

A

-

A

P

P

D

D

G

G

S

T

-

L

H

S

P

A

L

L

Q

Q

R

E

A

G

W

F

V

R

E

M

L

M

D

H

V

G

P

L

Q

Q

C
|
C

G
|
G

Y

Y

C
|
C

Q

T

S

P

G

G

Q

M

L

I

M

M

S

R

A

S

A

H

A

R

L

L

A

Q

Q

E

N

N

P

P

H

S

P

P

T

T

D

E

A

A

D

E

I

I

D

R

A

F

A

G

M

I

S

G

G

G

N

N

I

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

Q

R

N

I

I

R

V

R

K

A

A

I

I

H

Q

H

Y

A

A

binding flavin-adenine dinucleotide: S43 (≠ G42), H44 (≠ F43)
binding fe2/s2 (inorganic) cluster: I38 (≠ F37), G39 (= G38), C40 (= C39), S43 (≠ G42), C45 (= C44), G46 (= G45), C48 (= C47), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C135 (= C132), C137 (= C134)

1n5wD Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
39% identity, 92% coverage: 2:148/160 of query aligns to 4:151/158 of 1n5wD

query
sites
1n5wD

F

I

K

E

F

L

Q

T

V

I

N

N

G

G

Q

H

M

-

R

P

I

V

V

E

G

A

D

L

V

V

S

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

H

Q

L

Q

K

N

F

L

K

T

G

G

V

A

K

H

F

I

G

G

C
|
C

G

D

G

T

G
x
S

F
x
H

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

H

D

L

L

D

D

G

G

Q

M

P

S

A

V

R

K

A

S

C
|
C

Q

T

L

M

P

F

L

A

A

V

A

Q

V

A

A

N

G

G

H

A

R

S

I

I

T

T

I

I

E

E

G

G

L

M

S

A

-

A

P

P

D

D

G

G

S

T

-

L

H

S

P

A

L

L

Q

Q

R

E

A

G

W

F

V

R

E

M

L

M

D

H

V

G

P

L

Q
|
Q

C
|
C

G
|
G

Y

Y

C
|
C

Q

T

S

P

G

G

Q

M

L

I

M

M

S

R

A

S

A

H

A

R

L

L

A

Q

Q

E

N

N

P

P

H

S

P

P

T

T

D

E

A

A

D

E

I

I

D

R

A

F

A

G

M

I

S

G

G

G

N

N

I

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

Q

R

N

I

I

R

V

R

K

A

A

I

I

H

Q

H

Y

A

A

binding flavin-adenine dinucleotide: S43 (≠ G42), H44 (≠ F43)
binding fe2/s2 (inorganic) cluster: C40 (= C39), S43 (≠ G42), C45 (= C44), G46 (= G45), C48 (= C47), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C135 (= C132), C137 (= C134)
binding pterin cytosine dinucleotide: Q99 (= Q96), C137 (= C134)

7dqxC Crystal structure of xanthine dehydrogenase family protein
42% identity, 89% coverage: 2:143/160 of query aligns to 6:148/160 of 7dqxC

query
sites
7dqxC

F

L

K

T

F

V

Q

E

V

V

N

N

G

G

Q

V

M

T

R

H

I

A

V

T

G

-

D

D

V

V

S

E

P

P

D

R

T

R

P

L

L

L

L

A

W

D

V

F

L

L

R

R

D

D

H

D

L

L

K

H

F

L

K

R

G

G

V

T

K

R

F

V

G

G

C
|
C

G

E

G

H

G
|
G

F
x
V

C
|
C

G

G

A

S

C
|
C

T

T

V

V

H

I

L

L

D

D

G

G

Q

Q

P

P

A

V

R
|
R

A

S

C
|
C

Q

T

L

V

P

L

L

A

A

V

A

Q

V

A

A

N

G

N

H

S

R

R

I

I

T

E

T

T

I

V

E

E

G

S

L

L

S

Q

P

K

D

D

G

G

S

Q

-

L

H

H

P

P

L

L

Q

Q

R

R

A

S

W

F

V

S

E

K

L

C

D

H

V

A

P

L

Q
|
Q

C
|
C

G

G

Y

F

C
|
C

Q

T

S

S

G

G

Q

F

L

L

M

M

S

T

A

L

A

K

A

P

L

L

L

Y

A

D

Q

D

N

E

P

D

H

V

P

T

T

L

D

D

A

A

-

T

D

S

I

A

D

R

A

E

A

A

M

I

S

S

G

G

N

N

I

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

Q

R

Q

I

I

R

V

R

E

A

A

binding fe2/s2 (inorganic) cluster: C42 (= C39), G45 (= G42), V46 (≠ F43), C47 (= C44), C50 (= C47), R60 (= R57), C62 (= C59), Q100 (= Q96), C101 (= C97), C104 (= C100), C137 (= C132), C139 (= C134)
binding pterin cytosine dinucleotide: Q100 (= Q96), C139 (= C134)

1t3qA Crystal structure of quinoline 2-oxidoreductase from pseudomonas putida 86 (see paper)
37% identity, 97% coverage: 6:160/160 of query aligns to 10:161/162 of 1t3qA

query
sites
1t3qA

V

I

N

N

G

G

Q

K

M

P

R

R

I

V

V

F

G

-

D

Y

V

V

S

E

P

P

D

R

T

M

P

H

L

L

L

A

W

D

V

A

L

L

R

R

D

E

H

V

L

V

K

G

F

L

K

T

G

G

V

T

K

K

F
x
I

G

G

C
|
C

G
x
E

G

Q

G
|
G

F

V

C
|
C

G
|
G

A

S

C
|
C

T

T

V

I

H

L

L

I

D

D

G

G

Q

A

P

P

A

M

R
|
R

A

S

C
|
C

Q

L

L

T

P

L

L

A

A

V

A

Q

V

A

A

E

G

G

H

C

R

S

I

I

T

E

T

T

I

V

E

E

G

G

L

L

S

S

P

Q

-

G

D

E

G

K

S

L

H

N

P

A

L

L

Q

Q

R

D

A

S

W

F

V

R

E

R

L

H

D

H

V

A

P

L

Q
|
Q

C
|
C

G
|
G

Y

F

C
|
C

Q

T

S

A

G

G

Q

M

L

L

M

A

S

T

A

A

A

R

A

S

L

I

L

L

A

A

Q

E

N

N

P

P

H

A

P

P

T

S

D

R

A

D

D

E

I

V

D

R

A

E

A

V

M

M

S

S

G

G

N

N

I

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

E

R

T

I

I

R

I

R

D

A

A

I

I

H

T

H

D

A

P

A

A

Q

V

I

A

S

E

A

A

D

-

A

-

T

-

A

A

K

R

Q

R

G

G

D

E

binding fe2/s2 (inorganic) cluster: I40 (≠ F37), C42 (= C39), E43 (≠ G40), G45 (= G42), C47 (= C44), G48 (= G45), C50 (= C47), R60 (= R57), C62 (= C59), C101 (= C97), G102 (= G98), C104 (= C100), C136 (= C132), C138 (= C134)
binding pterin cytosine dinucleotide: Q100 (= Q96), C138 (= C134)

4usaA Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with trans-cinnamaldehyde (see paper)
45% identity, 79% coverage: 25:150/160 of query aligns to 26:155/907 of 4usaA

query
sites
4usaA

V

V

L

L

R

R

D

Q

H

Q

L

L

K

G

F

L

K

T

G

G

V

V

K

K

F
x
V

G

G

C
|
C

G
x
E

G

Q

G
|
G

F

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

H

I

L

L

D

D

G

G

Q

K

P

V

A

V

R
|
R

A

A

C
|
C

Q

V

L

T

P

K

L

M

A

K

A

R

V

V

A

A

-

D

G

G

H

A

R

Q

I

I

T

T

I

I

E

E

G

G

L

V

-

G

S

Q

P

P

D

E

G

N

S

L

H

H

P

P

L

L

Q

Q

R

K

A

A

W

W

V

V

E

L

L

H

D

G

V

G

P

A

Q
|
Q

C
|
C

G
|
G

Y

F

C
|
C

Q

S

S

P

G

G

Q

F

L

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

Q

T

N

N

P

A

H

D

P

P

T

S

D

R

A

E

D

D

I

V

D

R

A

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

I

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

K

R

P

I

L

R

V

R

D

A

A

I

V

H

M

H

D

A

A

Q

A

I

V

binding fe2/s2 (inorganic) cluster: V38 (≠ F37), C40 (= C39), E41 (≠ G40), G43 (= G42), C45 (= C44), G46 (= G45), C48 (= C47), R58 (= R57), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C137 (= C132), C139 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q96), C139 (= C134)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding bicarbonate ion: 460, 531, 532, 535, 539
binding hydrocinnamic acid: 255, 425, 494, 497, 535, 626
binding magnesium ion: 899, 903
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 420, 421, 422, 533, 650, 653, 654, 655, 656, 695, 696, 697, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869

4us9A Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with 3- phenylpropionaldehyde (see paper)
45% identity, 79% coverage: 25:150/160 of query aligns to 26:155/907 of 4us9A

query
sites
4us9A

V

V

L

L

R

R

D

Q

H

Q

L

L

K

G

F

L

K

T

G

G

V

V

K

K

F
x
V

G

G

C
|
C

G
x
E

G

Q

G
|
G

F

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

H

I

L

L

D

D

G

G

Q

K

P

V

A

V

R
|
R

A

A

C
|
C

Q

V

L

T

P

K

L

M

A

K

A

R

V

V

A

A

-

D

G

G

H

A

R

Q

I

I

T

T

I

I

E

E

G

G

L

V

-

G

S

Q

P

P

D

E

G

N

S

L

H

H

P

P

L

L

Q

Q

R

K

A

A

W

W

V

V

E

L

L

H

D

G

V

G

P

A

Q
|
Q

C
|
C

G
|
G

Y

F

C
|
C

Q

S

S

P

G

G

Q

F

L

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

Q

T

N

N

P

A

H

D

P

P

T

S

D

R

A

E

D

D

I

V

D

R

A

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

I

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

K

R

P

I

L

R

V

R

D

A

A

I

V

H

M

H

D

A

A

Q

A

I

V

binding fe2/s2 (inorganic) cluster: V38 (≠ F37), C40 (= C39), E41 (≠ G40), G43 (= G42), C45 (= C44), G46 (= G45), C48 (= C47), R58 (= R57), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C137 (= C132), C139 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q96), C139 (= C134)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding 3-phenylpropanal: 255, 257, 258, 752
binding bicarbonate ion: 460, 498, 531, 532, 535, 539, 890, 892
binding magnesium ion: 899, 903
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 420, 421, 422, 533, 650, 653, 654, 655, 656, 695, 696, 697, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869

4us8A Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with benzaldehyde (see paper)
45% identity, 79% coverage: 25:150/160 of query aligns to 26:155/907 of 4us8A

query
sites
4us8A

V

V

L

L

R

R

D

Q

H

Q

L

L

K

G

F

L

K

T

G

G

V

V

K

K

F
x
V

G

G

C
|
C

G
x
E

G

Q

G
|
G

F

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

H

I

L

L

D

D

G

G

Q

K

P

V

A

V

R
|
R

A

A

C
|
C

Q

V

L

T

P

K

L

M

A

K

A

R

V

V

A

A

-

D

G

G

H

A

R

Q

I

I

T

T

I

I

E

E

G

G

L

V

-

G

S

Q

P

P

D

E

G

N

S

L

H

H

P

P

L

L

Q

Q

R

K

A

A

W

W

V

V

E

L

L

H

D

G

V

G

P

A

Q
|
Q

C
|
C

G
|
G

Y

F

C
|
C

Q

S

S

P

G

G

Q

F

L

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

Q

T

N

N

P

A

H

D

P

P

T

S

D

R

A

E

D

D

I

V

D

R

A

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

I

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

K

R

P

I

L

R

V

R

D

A

A

I

V

H

M

H

D

A

A

Q

A

I

V

binding fe2/s2 (inorganic) cluster: V38 (≠ F37), C40 (= C39), E41 (≠ G40), G43 (= G42), C45 (= C44), G46 (= G45), C48 (= C47), R58 (= R57), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C137 (= C132), C139 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q96), C139 (= C134)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding bicarbonate ion: 460, 498, 531, 532, 535, 539
binding benzaldehyde: 255, 255, 394, 425, 425, 425, 425, 497, 497, 501, 531, 535, 535, 626, 626, 626, 694, 696, 697
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 420, 421, 422, 533, 653, 654, 655, 656, 695, 696, 697, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869

4c7yA Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with sodium dithionite and sodium sulfide (see paper)
45% identity, 79% coverage: 25:150/160 of query aligns to 26:155/907 of 4c7yA

query
sites
4c7yA

V

V

L

L

R

R

D

Q

H

Q

L

L

K

G

F

L

K

T

G

G

V

V

K

K

F

V

G

G

C
|
C

G
x
E

G

Q

G
|
G

F

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

H

I

L

L

D

D

G

G

Q

K

P

V

A

V

R
|
R

A

A

C
|
C

Q

V

L

T

P

K

L

M

A

K

A

R

V

V

A

A

-

D

G

G

H

A

R

Q

I

I

T

T

I

I

E

E

G

G

L

V

-

G

S

Q

P

P

D

E

G

N

S

L

H

H

P

P

L

L

Q

Q

R

K

A

A

W

W

V

V

E

L

L

H

D

G

V

G

P

A

Q
|
Q

C
|
C

G
|
G

Y

F

C
|
C

Q

S

S

P

G

G

Q

F

L

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

Q

T

N

N

P

A

H

D

P

P

T

S

D

R

A

E

D

D

I

V

D

R

A

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

I

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

G

K

R

P

I

L

R

V

R

D

A

A

I

V

H

M

H

D

A

A

Q

A

I

V

binding fe2/s2 (inorganic) cluster: C40 (= C39), E41 (≠ G40), G43 (= G42), C45 (= C44), G46 (= G45), C48 (= C47), R58 (= R57), C60 (= C59), C100 (= C97), G101 (= G98), C103 (= C100), C137 (= C132), C139 (= C134)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q96), C139 (= C134)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding bicarbonate ion: 460, 498, 531, 535, 539
binding magnesium ion: 899, 903
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 420, 421, 422, 533, 650, 653, 654, 655, 656, 695, 696, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869
binding hydrogen peroxide: 696, 697, 869

Query Sequence

>WP_047213971.1 NCBI__GCF_001931675.1:WP_047213971.1
MFKFQVNGQMRIVGDVSPDTPLLWVLRDHLKFKGVKFGCGGGFCGACTVHLDGQPARACQ
LPLAAVAGHRITTIEGLSPDGSHPLQRAWVELDVPQCGYCQSGQLMSAAALLAQNPHPTD
ADIDAAMSGNICRCGTYGRIRRAIHHAAQISADATAKQGD

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