SitesBLAST

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)
41% identity, 82% coverage: 3:147/177 of query aligns to 7:154/166 of P19921

query
sites
P19921

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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
C102 (= C96) binding [2Fe-2S] cluster
C105 (= C99) binding [2Fe-2S] cluster
C137 (= C130) binding [2Fe-2S] cluster
C139 (= C132) binding [2Fe-2S] cluster

1n5wA Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
41% identity, 82% coverage: 3:147/177 of query aligns to 5:152/161 of 1n5wA

query
sites
1n5wA

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C

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C

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binding flavin-adenine dinucleotide: S43 (≠ G41), H44 (≠ D42)
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 (= C130), C137 (= C132)

1n5wD Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
41% identity, 82% coverage: 3:147/177 of query aligns to 5:152/158 of 1n5wD

query
sites
1n5wD

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binding flavin-adenine dinucleotide: S43 (≠ G41), H44 (≠ D42)
binding fe2/s2 (inorganic) cluster: C40 (= C38), S43 (≠ G41), C45 (= C43), G46 (= G44), C48 (= C46), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C135 (= C130), C137 (= C132)
binding pterin cytosine dinucleotide: Q99 (= Q95), C137 (= C132)

4zohC Crystal structure of glyceraldehyde oxidoreductase (see paper)
39% identity, 81% coverage: 4:146/177 of query aligns to 14:157/161 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 (= C130), C143 (= C132)
binding pterin cytosine dinucleotide: Q105 (= Q95), C143 (= C132)

1dgjA Crystal structure of the aldehyde oxidoreductase from desulfovibrio desulfuricans atcc 27774 (see paper)
42% identity, 86% coverage: 4:156/177 of query aligns to 6:163/906 of 1dgjA

query
sites
1dgjA

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binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), G39 (= G37), C40 (= C38), G41 (= G39), G43 (= G41), Q44 (≠ D42), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C130), C139 (= C132)
binding pterin cytosine dinucleotide: Q99 (= Q95), C139 (= C132)

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)
41% identity, 78% coverage: 5:142/177 of query aligns to 9:148/162 of 1t3qA

query
sites
1t3qA

T

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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 (= C130), C138 (= C132)
binding pterin cytosine dinucleotide: Q100 (= Q95), C138 (= C132)

1sb3C Structure of 4-hydroxybenzoyl-coa reductase from thauera aromatica (see paper)
46% identity, 82% coverage: 3:147/177 of query aligns to 6:152/161 of 1sb3C

query
sites
1sb3C

R

R

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M

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A

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A

A

L

L

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N

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K

A

A

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N

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C

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C

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A

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 (= C130), C137 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C137 (= C132)

P77165 Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA; EC 1.2.99.6 from Escherichia coli (strain K12) (see paper)
40% identity, 81% coverage: 4:147/177 of query aligns to 65:225/229 of P77165

query
sites
P77165

L

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A

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T

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K

K

Y

K

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G

C
|
C

G

D

V

H

G

G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

L

V

V

D

N

G

G

A

R

L

L

R

N

A

A

C
|
C

L

L

I

T

T

L

L

A

A

V

E

M

C

H

E

Q

G

G

R

A

F

E

V

I

V

T

T

T

I

I

E

E

G

G

L

L

-

G

S

S

H

P

D

D

R

N

S

L

H

H

P

P

V

M

Q

Q

Q

A

A

A

M

F

V

I

A

K

E

H

Q

D

A

G

I

F

Q

Q

C
|
C

G

G

F

Y

C
|
C

T

T

P

S

G

G

I

Q

V

I

M

C

S

S

A

S

A

V

A

A

L

V

L

L

A

K

-

E

-

I

H

Q

N

D

A

G

S

I

P

P

S

S

E

H

A

V

-

T

-

V

-

D

-

L

-

V

-

S

-

A

-

P

-

E

-

T

-

A

-

D

E

E

I

I

K

R

A

E

A

R

I

M

P

S

-

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

V

A

Y

Y

P

A

R

N

L

I

L

L

G

A

A

A

V

I

Q

E

R

D

A

A

A

G

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 (= C130) binding [2Fe-2S] cluster
C210 (= C132) binding [2Fe-2S] cluster

5g5gA Escherichia coli periplasmic aldehyde oxidase (see paper)
40% identity, 81% coverage: 4:147/177 of query aligns to 14:174/175 of 5g5gA

query
sites
5g5gA

L

L

T

K

V

V

N

N

D

G

R

K

P

T

V

E

E

Q

F

L

A

E

M

V

D

D

P

T

R

R

T

T

P

T

L

L

W

D

A

T

L

L

R

R

D

E

G

N

A

L

N

H

L

L

T

I

G

G

T

T

K

K

Y

K

G
|
G

C
|
C

G
x
D

V

H

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

L

V

V

D

N

G

G

A

R

L

L

R

N

A

A

C
|
C

L

L

I

T

T

L

L

A

A

V

E

M

C

H

E

Q

G

G

R

A

F

E

V

I

V

T

T

T

I

I

E

E

G

G

L

L

-

G

S

S

H

P

D

D

R

N

S

L

H

H

P

P

V

M

Q

Q

Q

A

A

A

M

F

V

I

A

K

E

H

Q

D

A

G

I

F

Q

Q

C
|
C

G
|
G

F

Y

C
|
C

T

T

P

S

G

G

I

Q

V

I

M

C

S

S

A

S

A

V

A

A

L

V

L

L

A

K

-

E

-

I

H

Q

N

D

A

G

S

I

P

P

S

S

E

H

A

V

-

T

-

V

-

D

-

L

-

V

-

S

-

A

-

P

-

E

-

T

-

A

-

D

E

E

I

I

K

R

A

E

A

R

I

M

P

S

-

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

V

A

Y

Y

P

A

R

N

L

I

L

L

G

A

A

A

V

I

Q

E

R

D

A

A

A

G

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 (= C130), C159 (= C132)

4usaA Aldehyde oxidoreductase from desulfovibrio gigas (mop), soaked with trans-cinnamaldehyde (see paper)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 4usaA

query
sites
4usaA

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

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)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 4us9A

query
sites
4us9A

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

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)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 4us8A

query
sites
4us8A

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

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)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 4c7yA

query
sites
4c7yA

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y

V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

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)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 3fc4A

query
sites
3fc4A

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

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

3fahA Glycerol inhibited form of aldehyde oxidoreductase from desulfovibrio gigas (see paper)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 3fahA

query
sites
3fahA

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

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 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding glycerol: 416, 535, 622, 683, 696, 697, 869, 884, 889, 890, 892
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

1sijA Crystal structure of the aldehyde dehydrogenase (a.K.A. Aor or mop) of desulfovibrio gigas covalently bound to [aso3]- (see paper)
41% identity, 82% coverage: 4:148/177 of query aligns to 6:155/907 of 1sijA

query
sites
1sijA

L

I

T

T

V

V

N

N

D

G

R

I

P

E

V

Q

E

N

F

L

A

F

M

V

D

D

P

A

R

E

T

A

P

L

L

L

L

S

W

D

A

V

L

L

R

R

D

Q

G

Q

A

L

N

G

L

L

T

T

G

G

T

V

K

K

Y
x
V

G

G

C
|
C

G
x
E

V

Q

G
|
G

D

Q

C
|
C

G
|
G

A

A

C
|
C

T

S

V

V

M

I

V

L

D

D

G

G

A

K

A

V

L

V

R
|
R

A

A

C
|
C

L

V

I

T

T

K

L

M

A

K

E

R

C

V

-

A

E

D

G

G

R

A

F

Q

V

I

V

T

T

T

I

I

E

E

G

G

L

V

S

G

H

Q

-

P

D

E

R

N

S

L

H

H

P

P

V

L

Q

Q

Q

K

A

A

M

W

V

V

A

L

E

H

Q

G

A

G

I

A

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

S

P

P

G

G

I

F

V

I

M

V

S

S

A

A

A

K

A

G

L

L

A

D

H

T

N

N

A

A

S

D

P

P

S

S

E

R

A

E

E

D

I

V

K

R

A

D

A

W

I

F

P

Q

-

K

-

H

-

R

N

N

L

A

C
|
C

R

R

C
|
C

G

T

V

G

Y

Y

P

K

R

P

L

L

L

V

G

D

A

A

V

V

Q

M

R

D

A

A

V

V

binding fe2/s2 (inorganic) cluster: V38 (≠ Y36), C40 (= C38), E41 (≠ G39), G43 (= G41), C45 (= C43), G46 (= G44), C48 (= C46), R58 (= R56), C60 (= C58), Q99 (= Q95), C100 (= C96), G101 (= G97), C103 (= C99), C137 (= C130), C139 (= C132)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q99 (= Q95), C139 (= C132)

Sites not aligning to the query:

active site: 390, 425, 501, 505, 533, 869, 870
binding arsenite: 535, 696, 697, 869
binding magnesium ion: 899, 903
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): 420, 421, 422, 533, 653, 654, 655, 656, 695, 696, 698, 700, 701, 799, 800, 804, 807, 865, 866, 867, 868, 869

Query Sequence

>WP_059152345.1 NCBI__GCF_001046635.1:WP_059152345.1
MTRLTVNDRPVEFAMDPRTPLLWALRDGANLTGTKYGCGVGDCGACTVMVDGAALRACLI
TLAECEGRFVVTIEGLSHDRSHPVQQAMVAEQAIQCGFCTPGIVMSAAALLAHNASPSEA
EIKAAIPNLCRCGVYPRLLGAVQRAAAVTRREDTISAAPAPGIAPEDAARAVPALKP

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