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, 96% coverage: 2:149/154 of query aligns to 6:154/157 of Q0QLF3

query
sites
Q0QLF3

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C42 (= C38) binding [2Fe-2S] cluster
C47 (= C43) binding [2Fe-2S] cluster
C50 (= C46) binding [2Fe-2S] cluster
C62 (= C58) binding [2Fe-2S] cluster
C101 (= C96) binding [2Fe-2S] cluster
C104 (= C99) binding [2Fe-2S] cluster
C136 (= C131) binding [2Fe-2S] cluster
C138 (= C133) binding [2Fe-2S] cluster

1sb3C Structure of 4-hydroxybenzoyl-coa reductase from thauera aromatica (see paper)
39% identity, 95% coverage: 1:147/154 of query aligns to 4:151/161 of 1sb3C

query
sites
1sb3C

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binding fe2/s2 (inorganic) cluster: Q39 (≠ Y36), C41 (= C38), G44 (= G41), C46 (= C43), G47 (= G44), C49 (= C46), C61 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C135 (= C131), C137 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C137 (= C133)

4zohC Crystal structure of glyceraldehyde oxidoreductase (see paper)
39% identity, 97% coverage: 2:150/154 of query aligns to 12:160/161 of 4zohC

query
sites
4zohC

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binding fe2/s2 (inorganic) cluster: C47 (= C38), S50 (≠ G41), C52 (= C43), G53 (= G44), C55 (= C46), C67 (= C58), C106 (= C96), G107 (= G97), C109 (= C99), C141 (= C131), C143 (= C133)
binding pterin cytosine dinucleotide: Q105 (= Q95), C143 (= C133)

5y6qA Crystal structure of an aldehyde oxidase from methylobacillus sp. Ky4400 (see paper)
38% identity, 97% coverage: 2:150/154 of query aligns to 5:155/157 of 5y6qA

query
sites
5y6qA

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binding fe2/s2 (inorganic) cluster: G40 (= G37), C41 (= C38), D42 (≠ G39), G44 (= G41), C46 (= C43), G47 (= G44), C49 (= C46), C61 (= C58), C101 (= C96), G102 (= G97), C104 (= C99), C136 (= C131), C138 (= C133)
binding pterin cytosine dinucleotide: Q100 (= Q95), C138 (= C133)

1ffvA Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava (see paper)
34% identity, 98% coverage: 1:151/154 of query aligns to 3:154/155 of 1ffvA

query
sites
1ffvA

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binding fe2/s2 (inorganic) cluster: I38 (≠ Y36), C40 (= C38), S43 (≠ G41), C45 (= C43), G46 (= G44), C48 (= C46), C60 (= C58), C99 (= C96), G100 (= G97), C102 (= C99), C134 (= C131), C136 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q98 (= Q95), C136 (= C133)

1ffuD Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava which lacks the mo-pyranopterin moiety of the molybdenum cofactor (see paper)
34% identity, 98% coverage: 1:151/154 of query aligns to 4:155/156 of 1ffuD

query
sites
1ffuD

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binding fe2/s2 (inorganic) cluster: C41 (= C38), S44 (≠ G41), H45 (≠ L42), C46 (= C43), G47 (= G44), C49 (= C46), C61 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C135 (= C131), C137 (= C133)

1dgjA Crystal structure of the aldehyde oxidoreductase from desulfovibrio desulfuricans atcc 27774 (see paper)
38% identity, 97% coverage: 3:152/154 of query aligns to 5:158/906 of 1dgjA

query
sites
1dgjA

S

T

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Q

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N

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G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), G39 (= G37), C40 (= C38), G41 (= G39), G43 (= G41), Q44 (≠ L42), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding pterin cytosine dinucleotide: Q99 (= Q95), C139 (= C133)

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

1t3qA Crystal structure of quinoline 2-oxidoreductase from pseudomonas putida 86 (see paper)
39% identity, 92% coverage: 2:143/154 of query aligns to 6:148/162 of 1t3qA

query
sites
1t3qA

F

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N

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E

P

P

D

R

T

M

P

H

L

L

L

A

W

D

V

A

L

L

R

R

D

E

L

V

S

G

M

L

T

T

S

G

I

T

R

K

Y
x
I

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

V

C
|
C

G
|
G

A

S

C
|
C

S

T

I

I

L

L

V

I

D

D

G

G

E

A

P

P

T

M

R
|
R

A

S

C
|
C

Q

L

T

T

P

L

V

A

S

V

E

Q

I

A

N

E

G

G

R

C

R

S

I

I

Q

E

T

T

L

V

A

E

G

G

L

L

-

S

-

Q

G

G

D

E

A

K

V

L

S

N

A

A

Q

-

L

L

R

Q

A

D

A

S

W

F

I

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

I

A

S

T

A

A

G

R

A

S

L

I

L

L

R

A

R

E

N

N

P

P

N

A

P

P

S

S

D

R

G

D

D

E

I

V

D

R

T

E

A

V

M

M

S

S

G

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

E

R

T

I

I

R

I

A

D

A

A

I

I

binding fe2/s2 (inorganic) cluster: I40 (≠ Y36), C42 (= C38), E43 (≠ G39), G45 (= G41), C47 (= C43), G48 (= G44), C50 (= C46), R60 (= R56), C62 (= C58), C101 (= C96), G102 (= G97), C104 (= C99), C136 (= C131), C138 (= C133)
binding pterin cytosine dinucleotide: Q100 (= Q95), C138 (= C133)

P77165 Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA; EC 1.2.99.6 from Escherichia coli (strain K12) (see paper)
36% identity, 97% coverage: 2:151/154 of query aligns to 63:228/229 of P77165

query
sites
P77165

F

L

S

T

L

L

I

K

I

V

N

N

G

G

E

K

R

T

H

E

K

Q

V

L

D

E

A

V

A

D

P

T

D

R

T

T

P

T

L

L

W

D

V

T

L

L

R

R

D

E

L

N

L

L

S

H

M

L

T

I

S

G

I

T

R

K

Y

K

G

G

C
|
C

G

D

Q

H

G

G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

T

I

V

L

L

V

V

D

N

G

G

E

R

P

R

T

L

R

N

A

A

C
|
C

Q

L

T

T

P

L

V

A

S

V

E

M

I

H

N

Q

G

G

R

A

R

E

I

I

Q

T

T

T

L

I

A

E

G

G

L

L

G

G

D

S

A

P

V

D

S

N

A

L

Q

H

-

P

L

M

R

Q

A

A

W

F

I

I

E

K

L

H

D

D

V

G

P

F

Q

Q

C
|
C

G

G

Y

Y

C
|
C

Q

T

S

S

G

G

Q

Q

L

I

I

C

S

S

A

S

G

V

A

A

L

V

L

L

R

K

R

E

-

I

-

Q

-

D

-

G

-

I

-

P

-

S

-

H

-

V

-

T

-

V

-

D

-

L

-

V

-

S

N

A

P

P

N

E

P

T

S

T

D

A

G

D

D

E

I

I

D

R

T

E

A

R

M

M

S

S

G

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

T

A

Y

Y

Q

A

R

N

I

I

R

L

A

A

I

I

H

E

L

D

A

A

R

G

R

E

L

I

R

K

C99 (= C38) binding [2Fe-2S] cluster
C104 (= C43) binding [2Fe-2S] cluster
G105 (= G44) binding [2Fe-2S] cluster
C107 (= C46) binding [2Fe-2S] cluster
C119 (= C58) binding [2Fe-2S] cluster
C158 (= C96) binding [2Fe-2S] cluster
C161 (= C99) binding [2Fe-2S] cluster
C208 (= C131) binding [2Fe-2S] cluster
C210 (= C133) binding [2Fe-2S] cluster

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)
33% identity, 98% coverage: 2:152/154 of query aligns to 6:158/166 of P19921

query
sites
P19921

F

I

S

E

L

L

I

T

I

I

N

N

G

G

E

H

R

P

H

V

K

E

V

A

D

L

A

V

A

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

L

Q

S

N

M

L

T

T

S

G

I

A

R

H

Y

I

G

G

C
|
C

G

D

Q

T

G

S

L

H

C
|
C

G

G

A

A

C
|
C

S

T

I

V

L

D

V

L

D

D

G

G

E

M

P

S

T

V

R

K

A

S

C
|
C

Q

T

T

M

P

F

V

A

S

V

E

Q

I

A

N

N

G

G

R

A

R

S

I

I

Q

T

T

T

L

I

A

E

G

G

L

M

G

A

-

A

-

P

D

D

A

G

V

T

S

L

A

S

Q

A

L

L

R

Q

A

E

A

G

W

F

I

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

I

M

S

R

A

S

G

H

A

R

L

L

R

Q

R

E

N

N

P

P

N

S

P

P

S

T

D

E

G

A

D

E

I

I

D

R

T

F

A

G

M

I

S

G

G

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

Q

R

N

I

I

R

V

A

K

A

A

I

I

H

Q

L

Y

A

A

R

A

R

K

L

I

R

N

G

G

C42 (= C38) binding [2Fe-2S] cluster
C47 (= C43) binding [2Fe-2S] cluster
C50 (= C46) binding [2Fe-2S] cluster
C62 (= C58) binding [2Fe-2S] cluster
C102 (= C96) binding [2Fe-2S] cluster
C105 (= C99) binding [2Fe-2S] cluster
C137 (= C131) binding [2Fe-2S] cluster
C139 (= C133) binding [2Fe-2S] cluster

5g5gA Escherichia coli periplasmic aldehyde oxidase (see paper)
37% identity, 95% coverage: 2:147/154 of query aligns to 12:173/175 of 5g5gA

query
sites
5g5gA

F

L

S

T

L

L

I

K

I

V

N

N

G

G

E

K

R

T

H

E

K

Q

V

L

D

E

A

V

A

D

P

T

D

R

T

T

P

T

L

L

W

D

V

T

L

L

R

R

D

E

L

N

L

L

S

H

M

L

T

I

S

G

I

T

R

K

Y

K

G
|
G

C
|
C

G
x
D

Q

H

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

T

I

V

L

L

V

V

D

N

G

G

E

R

P

R

T

L

R

N

A

A

C
|
C

Q

L

T

T

P

L

V

A

S

V

E

M

I

H

N

Q

G

G

R

A

R

E

I

I

Q

T

T

T

L

I

A

E

G

G

L

L

G

G

D

S

A

P

V

D

S

N

A

L

Q

H

-

P

L

M

R

Q

A

A

W

F

I

I

E

K

L

H

D

D

V

G

P

F

Q

Q

C
|
C

G
|
G

Y

Y

C
|
C

Q

T

S

S

G

G

Q

Q

L

I

I

C

S

S

A

S

G

V

A

A

L

V

L

L

R

K

R

E

-

I

-

Q

-

D

-

G

-

I

-

P

-

S

-

H

-

V

-

T

-

V

-

D

-

L

-

V

-

S

N

A

P

P

N

E

P

T

S

T

D

A

G

D

D

E

I

I

D

R

T

E

A

R

M

M

S

S

G

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

T

A

Y

Y

Q

A

R

N

I

I

R

L

A

A

I

I

H

E

L

D

A

A

binding fe2/s2 (inorganic) cluster: G47 (= G37), C48 (= C38), D49 (≠ G39), G51 (= G41), C53 (= C43), G54 (= G44), C56 (= C46), C68 (= C58), C107 (= C96), G108 (= G97), C110 (= C99), C157 (= C131), C159 (= C133)

1n5wA Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
33% identity, 98% coverage: 2:152/154 of query aligns to 4:156/161 of 1n5wA

query
sites
1n5wA

F

I

S

E

L

L

I

T

I

I

N

N

G

G

E

H

R

P

H

V

K

E

V

A

D

L

A

V

A

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

L

Q

S

N

M

L

T

T

S

G

I

A

R

H

Y
x
I

G
|
G

C
|
C

G

D

Q

T

G
x
S

L
x
H

C
|
C

G
|
G

A

A

C
|
C

S

T

I

V

L

D

V

L

D

D

G

G

E

M

P

S

T

V

R

K

A

S

C
|
C

Q

T

T

M

P

F

V

A

S

V

E

Q

I

A

N

N

G

G

R

A

R

S

I

I

Q

T

T

T

L

I

A

E

G

G

L

M

G

A

-

A

-

P

D

D

A

G

V

T

S

L

A

S

Q

A

L

L

R

Q

A

E

A

G

W

F

I

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

I

M

S

R

A

S

G

H

A

R

L

L

R

Q

R

E

N

N

P

P

N

S

P

P

S

T

D

E

G

A

D

E

I

I

D

R

T

F

A

G

M

I

S

G

G

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

Q

R

N

I

I

R

V

A

K

A

A

I

I

H

Q

L

Y

A

A

R

A

R

K

L

I

R

N

G

G

binding flavin-adenine dinucleotide: S43 (≠ G41), H44 (≠ L42)
binding fe2/s2 (inorganic) cluster: I38 (≠ Y36), G39 (= G37), C40 (= C38), S43 (≠ G41), C45 (= C43), G46 (= G44), C48 (= C46), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C135 (= C131), C137 (= C133)

1n5wD Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
33% identity, 98% coverage: 2:152/154 of query aligns to 4:156/158 of 1n5wD

query
sites
1n5wD

F

I

S

E

L

L

I

T

I

I

N

N

G

G

E

H

R

P

H

V

K

E

V

A

D

L

A

V

A

E

P

P

D

R

T

T

P

L

L

L

L

I

W

H

V

F

L

I

R

R

D

E

L

Q

S

N

M

L

T

T

S

G

I

A

R

H

Y

I

G

G

C
|
C

G

D

Q

T

G
x
S

L
x
H

C
|
C

G
|
G

A

A

C
|
C

S

T

I

V

L

D

V

L

D

D

G

G

E

M

P

S

T

V

R

K

A

S

C
|
C

Q

T

T

M

P

F

V

A

S

V

E

Q

I

A

N

N

G

G

R

A

R

S

I

I

Q

T

T

T

L

I

A

E

G

G

L

M

G

A

-

A

-

P

D

D

A

G

V

T

S

L

A

S

Q

A

L

L

R

Q

A

E

A

G

W

F

I

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

I

M

S

R

A

S

G

H

A

R

L

L

R

Q

R

E

N

N

P

P

N

S

P

P

S

T

D

E

G

A

D

E

I

I

D

R

T

F

A

G

M

I

S

G

G

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

Q

R

N

I

I

R

V

A

K

A

A

I

I

H

Q

L

Y

A

A

R

A

R

K

L

I

R

N

G

G

binding flavin-adenine dinucleotide: S43 (≠ G41), H44 (≠ L42)
binding fe2/s2 (inorganic) cluster: C40 (= C38), S43 (≠ G41), C45 (= C43), G46 (= G44), C48 (= C46), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C135 (= C131), C137 (= C133)
binding pterin cytosine dinucleotide: Q99 (= Q95), C137 (= C133)

4usaA Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with trans-cinnamaldehyde (see paper)
35% identity, 97% coverage: 4:152/154 of query aligns to 6:158/907 of 4usaA

query
sites
4usaA

L

I

I

T

I

V

N

N

G

G

E

I

R

E

H

Q

K

N

V

L

D

F

A

V

A

D

P

A

D

E

T

A

P

L

L

L

L

S

W

D

V

V

L

L

R

R

D

Q

L

Q

L

L

S

G

M

L

T

T

S

G

I

V

R

K

Y
x
V

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

S

I

V

L

I

V

L

D

D

G

G

E

K

P

V

T

V

R
|
R

A

A

C
|
C

Q

V

T

T

P

K

V

M

S

K

E

R

I

V

-

A

N

D

G

G

R

A

R

Q

I

I

Q

T

T

T

L

I

A

E

G

G

L

V

G

G

D

Q

A

P

V

E

S

N

A

L

Q

H

-

P

L

L

R

Q

A

K

A

A

W

W

I

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

I

V

S

S

A

A

G

K

A

G

L

L

R

D

R

T

N

N

P

A

N

D

P

P

S

S

D

R

G

E

D

D

I

V

D

R

T

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

K

R

P

I

L

R

V

A

D

A

A

I

V

H

M

L

D

A

A

R

A

R

V

L

I

R

N

G

G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C133)

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)
35% identity, 97% coverage: 4:152/154 of query aligns to 6:158/907 of 4us9A

query
sites
4us9A

L

I

I

T

I

V

N

N

G

G

E

I

R

E

H

Q

K

N

V

L

D

F

A

V

A

D

P

A

D

E

T

A

P

L

L

L

L

S

W

D

V

V

L

L

R

R

D

Q

L

Q

L

L

S

G

M

L

T

T

S

G

I

V

R

K

Y
x
V

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

S

I

V

L

I

V

L

D

D

G

G

E

K

P

V

T

V

R
|
R

A

A

C
|
C

Q

V

T

T

P

K

V

M

S

K

E

R

I

V

-

A

N

D

G

G

R

A

R

Q

I

I

Q

T

T

T

L

I

A

E

G

G

L

V

G

G

D

Q

A

P

V

E

S

N

A

L

Q

H

-

P

L

L

R

Q

A

K

A

A

W

W

I

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

I

V

S

S

A

A

G

K

A

G

L

L

R

D

R

T

N

N

P

A

N

D

P

P

S

S

D

R

G

E

D

D

I

V

D

R

T

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

K

R

P

I

L

R

V

A

D

A

A

I

V

H

M

L

D

A

A

R

A

R

V

L

I

R

N

G

G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C133)

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)
35% identity, 97% coverage: 4:152/154 of query aligns to 6:158/907 of 4us8A

query
sites
4us8A

L

I

I

T

I

V

N

N

G

G

E

I

R

E

H

Q

K

N

V

L

D

F

A

V

A

D

P

A

D

E

T

A

P

L

L

L

L

S

W

D

V

V

L

L

R

R

D

Q

L

Q

L

L

S

G

M

L

T

T

S

G

I

V

R

K

Y
x
V

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

S

I

V

L

I

V

L

D

D

G

G

E

K

P

V

T

V

R
|
R

A

A

C
|
C

Q

V

T

T

P

K

V

M

S

K

E

R

I

V

-

A

N

D

G

G

R

A

R

Q

I

I

Q

T

T

T

L

I

A

E

G

G

L

V

G

G

D

Q

A

P

V

E

S

N

A

L

Q

H

-

P

L

L

R

Q

A

K

A

A

W

W

I

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

I

V

S

S

A

A

G

K

A

G

L

L

R

D

R

T

N

N

P

A

N

D

P

P

S

S

D

R

G

E

D

D

I

V

D

R

T

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

K

R

P

I

L

R

V

A

D

A

A

I

V

H

M

L

D

A

A

R

A

R

V

L

I

R

N

G

G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C133)

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)
35% identity, 97% coverage: 4:152/154 of query aligns to 6:158/907 of 4c7yA

query
sites
4c7yA

L

I

I

T

I

V

N

N

G

G

E

I

R

E

H

Q

K

N

V

L

D

F

A

V

A

D

P

A

D

E

T

A

P

L

L

L

L

S

W

D

V

V

L

L

R

R

D

Q

L

Q

L

L

S

G

M

L

T

T

S

G

I

V

R

K

Y

V

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

S

I

V

L

I

V

L

D

D

G

G

E

K

P

V

T

V

R
|
R

A

A

C
|
C

Q

V

T

T

P

K

V

M

S

K

E

R

I

V

-

A

N

D

G

G

R

A

R

Q

I

I

Q

T

T

T

L

I

A

E

G

G

L

V

G

G

D

Q

A

P

V

E

S

N

A

L

Q

H

-

P

L

L

R

Q

A

K

A

A

W

W

I

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

I

V

S

S

A

A

G

K

A

G

L

L

R

D

R

T

N

N

P

A

N

D

P

P

S

S

D

R

G

E

D

D

I

V

D

R

T

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

K

R

P

I

L

R

V

A

D

A

A

I

V

H

M

L

D

A

A

R

A

R

V

L

I

R

N

G

G

binding fe2/s2 (inorganic) cluster: C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C133)

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

3fc4A Ethylene glycol inhibited form of aldehyde oxidoreductase from desulfovibrio gigas (see paper)
35% identity, 97% coverage: 4:152/154 of query aligns to 6:158/907 of 3fc4A

query
sites
3fc4A

L

I

I

T

I

V

N

N

G

G

E

I

R

E

H

Q

K

N

V

L

D

F

A

V

A

D

P

A

D

E

T

A

P

L

L

L

L

S

W

D

V

V

L

L

R

R

D

Q

L

Q

L

L

S

G

M

L

T

T

S

G

I

V

R

K

Y
x
V

G

G

C
|
C

G
x
E

Q

Q

G
|
G

L

Q

C
|
C

G
|
G

A

A

C
|
C

S

S

I

V

L

I

V

L

D

D

G

G

E

K

P

V

T

V

R
|
R

A

A

C
|
C

Q

V

T

T

P

K

V

M

S

K

E

R

I

V

-

A

N

D

G

G

R

A

R

Q

I

I

Q

T

T

T

L

I

A

E

G

G

L

V

G

G

D

Q

A

P

V

E

S

N

A

L

Q

H

-

P

L

L

R

Q

A

K

A

A

W

W

I

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

I

V

S

S

A

A

G

K

A

G

L

L

R

D

R

T

N

N

P

A

N

D

P

P

S

S

D

R

G

E

D

D

I

V

D

R

T

D

A

W

M

F

S

Q

G

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

T

G

Y

Y

Q

K

R

P

I

L

R

V

A

D

A

A

I

V

H

M

L

D

A

A

R

A

R

V

L

I

R

N

G

G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C131), C139 (= C133)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C133)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding 1,2-ethanediol: 535, 622, 696, 697, 869
binding magnesium ion: 899, 903
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 419, 420, 421, 422, 533, 650, 653, 654, 655, 656, 695, 696, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869

Query Sequence

>WP_043745513.1 NCBI__GCF_000009985.1:WP_043745513.1
MFSLIINGERHKVDAAPDTPLLWVLRDLLSMTSIRYGCGQGLCGACSILVDGEPTRACQT
PVSEINGRRIQTLAGLGDAVSAQLRAAWIELDVPQCGYCQSGQLISAGALLRRNPNPSDG
DIDTAMSGNLCRCGTYQRIRAAIHLAARRLRGAS

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