SitesBLAST

264:271 binding
354 binding
358 binding
367 binding
411 binding
802 binding
807 A→V: No effect on kinetic constants with smaller substrates like benzaldehyde or phthalazine. Decreases substrate affinity and slightly increases catalytic efficiency for bulkier substrates like phenanthridine.
885 Y→M: Slightly decreases substrate affinity but no effect on activity with smaller substrates like benzaldehyde or phthalazine. Increases catalytic efficiency with bulkier substrates like phenanthridine or more charged substrates like N1-methylnicotinamide.
889 K→H: No effect on substrate affinity but decreases catalytic efficiency for smaller substrates like benzaldehyde or phthalazine. Increases substrate affinity and activity for bulkier substrates like phenanthridine.
1043 binding
1199 binding
1266 E→Q: Loss of activity with different N-heterocyclic compounds as substrates. 60% reduction of activity with benzaldehyde.

4zohC Crystal structure of glyceraldehyde oxidoreductase (see paper)
37% identity, 85% coverage: 24:173/177 of query aligns to 12:161/161 of 4zohC

query
sites
4zohC

I

I

E

T

V

L

E

K

I

I

N

N

G

G

R

E

P

K

F

Y

R

E

H

T

T

E

G

V

D

E

P

P

D

R

M

R

P

L

L

L

L

V

W

H

Y

V

L

L

R

R

D

E

V

-

L

L

R

G

L

F

T

T

G

G

T

V

K

H

Y

I

A

G

S
x
C

D

D

H

T

G
x
S

L

N

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

I

V

M

D

N

K

G

K

K

P

S

V

V

S

K

A

S

A
x
C

S

T

V

V

P

L

M

A

H

V

E

E

L

A

A

D

D

G

K

A

K

E

V

I

T

L

T

T

V

V

E

E

G

G

L

L

A

A

A

K

A

-

D

D

G

G

K

K

L

L

H

H

P

P

L

I

Q

Q

Q

E

A

A

F

F

V

W

D

E

E

N

D

H

A

A

I

L

G
x
Q

C
|
C

G
|
G

Y

Y

C
|
C

T

T

P

P

G

G

W

M

L

I

I

M

A

E

S

A

L

Y

D

W

L

L

N

R

R

E

H

K

P

P

Q

N

P

P

S

T

D

E

Q

E

I

I

D

R

Q

E

-

G

-

I

L

S

P

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

C

G

Q

Y

T

Q

R

N

V

I

R

V

R

K

A

A

I

I

K

K

R

A

A

A

S

A

A

E

A

K

M

L

A

S

binding fe2/s2 (inorganic) cluster: C47 (≠ S60), S50 (≠ G63), C52 (≠ G65), G53 (= G66), C55 (≠ D68), C67 (≠ A80), C106 (= C120), G107 (= G121), C109 (= C123), C141 (= C153), C143 (= C155)
binding pterin cytosine dinucleotide: Q105 (≠ G119), C143 (= C155)

3zyvB Crystal structure of the mouse liver aldehyde oxidase 3 (maox3) (see paper)
38% identity, 76% coverage: 22:155/177 of query aligns to 2:148/1262 of 3zyvB

query
sites
3zyvB

D

D

G

E

I

L

E

I

V

F

E

F

I

V

N

N

G

G

R

K

P

K

F

V

-

T

R

E

H

R

T

N

G

A

D

D

P

P

D

E

M

V

P

N

L

L

W

F

Y

Y

L

L

R

R

D

K

V

V

L

I

R

R

L

L

T

T

G

G

T

T

K

K

Y
|
Y

A

G

S
x
C

D
x
G

H

G

G
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G

L

D

G
x
C

G

G

A

A

D
x
C

L

T

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L

M

V

I

D

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K

R

K

Y

-

D

P

P

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I

S

S

-

K

-

R

-

I

-

S

-

H

-

F

-

S

-

A

-
x
T

A

A

A
x
C

S

L

V

V

P

P

M

I

H

C

E

S

L

L

A

H

D

G

K

A

V

V

T

T

V

V

E

E

G

G

L

I

A

G

A

S

A

T

D

K

G

T

K

R

L

I

H

H

P

P

L

V

Q

Q

Q

E

A

R

F

I

V

A

D

K

E

G

D

H

A

G

I

T

G

Q

C
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C

G
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G

Y

F

C
|
C

T

T

P

P

G

G

W

M

L

V

I

M

A

S

S

I

L

Y

D

T

L

L

N

R

R

N

H

H

P

P

Q

E

P

P

S

S

D

T

D

E

Q

Q

I

I

D

M

Q

E

L

T

-

L

-

G

P

G

N

N

L

L

C
|
C

R

R

C
|
C

binding fe2/s2 (inorganic) cluster: Y39 (= Y58), C41 (≠ S60), G42 (≠ D61), G44 (= G63), C46 (≠ G65), C49 (≠ D68), T69 (vs. gap), C71 (≠ A80), C111 (= C120), G112 (= G121), C114 (= C123), C146 (= C153), C148 (= C155)

Sites not aligning to the query:

active site: 716, 751, 829, 833, 861, 1207, 1208
binding flavin-adenine dinucleotide: 227, 229, 230, 231, 232, 233, 234, 267, 303, 304, 312, 313, 316, 317, 319, 325, 326, 366, 392, 393

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)
35% identity, 85% coverage: 24:174/177 of query aligns to 6:158/166 of P19921

query
sites
P19921

I

I

E

E

V

L

E

T

I

I

N

N

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A

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F

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N

L

L

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G

T

A

K

H

Y

I

A

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S
x
C

D

D

H

T

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S

L

H

G
x
C

G

G

A

A

D
x
C

L

T

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V

L

D

V

L

D

D

K

G

K

M

P

S

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V

S

K

A

S

A
x
C

S

T

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M

P

F

M

A

H

V

E

Q

L

A

A

N

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K

A

K

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E

E

G

G

L

M

A

A

A

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D

D

G

G

K

T

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L

H

S

P

A

L

L

Q

Q

Q

E

A

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F

F

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M

E

M

D

H

A

G

I

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G

Q

C
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C

G

G

Y

Y

C
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C

T

T

P

P

G

G

W

M

L

I

I

M

A

R

S

S

L

H

D

R

L

L

N

Q

R

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N

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P

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S

P

P

S

T

D

E

D

A

Q

E

I

I

-

R

-

F

D

G

Q

I

L

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P

G

N

N

L

L

C
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C

R

R

C
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C

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T

C

G

Q

Y

T

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N

V

I

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A

A

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A

A

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A

A

A

A

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M

I

A

N

G

G

C42 (≠ S60) binding
C47 (≠ G65) binding
C50 (≠ D68) binding
C62 (≠ A80) binding
C102 (= C120) binding
C105 (= C123) binding
C137 (= C153) binding
C139 (= C155) binding

1n5wD Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
35% identity, 85% coverage: 24:174/177 of query aligns to 4:156/158 of 1n5wD

query
sites
1n5wD

I

I

E

E

V

L

E

T

I

I

N

N

G

G

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P

F

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H

A

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L

L

I

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N

L

L

T

T

G

G

T

A

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H

Y

I

A

G

S
x
C

D

D

H

T

G
x
S

L
x
H

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x
C

G
|
G

A

A

D
x
C

L

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V

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D

V

L

D

D

K

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A

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A
x
C

S

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M

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M

A

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A

A

N

D

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K

A

K

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A

A

A

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D

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A

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A

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M

E

M

D

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A

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x
Q

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C

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G

Y

Y

C
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C

T

T

P

P

G

G

W

M

L

I

I

M

A

R

S

S

L

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D

R

L

L

N

Q

R

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H

N

P

P

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S

P

P

S

T

D

E

D

A

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E

I

I

-

R

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F

D

G

Q

I

L

G

P

G

N

N

L

L

C
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C

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C
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C

G

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C

G

Q

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T

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V

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R

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A

A

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A

A

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A

A

A

A

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M

I

A

N

G

G

binding flavin-adenine dinucleotide: S43 (≠ G63), H44 (≠ L64)
binding fe2/s2 (inorganic) cluster: C40 (≠ S60), S43 (≠ G63), C45 (≠ G65), G46 (= G66), C48 (≠ D68), C60 (≠ A80), C100 (= C120), G101 (= G121), C103 (= C123), C135 (= C153), C137 (= C155)
binding pterin cytosine dinucleotide: Q99 (≠ G119), C137 (= C155)

1n5wA Crystal structure of the cu,mo-co dehydrogenase (codh); oxidized form (see paper)
35% identity, 85% coverage: 24:174/177 of query aligns to 4:156/161 of 1n5wA

query
sites
1n5wA

I

I

E

E

V

L

E

T

I

I

N

N

G

G

R

H

P

P

F

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A

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L

L

L

L

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Y

F

L

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R

D

E

V

Q

L

Q

R

N

L

L

T

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G

G

T

A

K

H

Y
x
I

A
x
G

S
x
C

D

D

H

T

G
x
S

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x
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x
C

G
|
G

A

A

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x
C

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T

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V

L

D

V

L

D

D

K

G

K

M

P

S

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V

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K

A

S

A
x
C

S

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M

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M

A

H

V

E

Q

L

A

A

N

D

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K

A

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T

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E

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G

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M

A

A

A

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D

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A

L

L

Q

Q

Q

E

A

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F

F

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M

E

M

D

H

A

G

I

L

G

Q

C
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C

G
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G

Y

Y

C
|
C

T

T

P

P

G

G

W

M

L

I

I

M

A

R

S

S

L

H

D

R

L

L

N

Q

R

E

H

N

P

P

Q

S

P

P

S

T

D

E

D

A

Q

E

I

I

-

R

-

F

D

G

Q

I

L

G

P

G

N

N

L

L

C
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C

R

R

C
|
C

G

T

C

G

Q

Y

T

Q

R

N

V

I

R

V

R

K

A

A

I

I

K

Q

R

Y

A

A

S

A

A

A

A

K

M

I

A

N

G

G

binding flavin-adenine dinucleotide: S43 (≠ G63), H44 (≠ L64)
binding fe2/s2 (inorganic) cluster: I38 (≠ Y58), G39 (≠ A59), C40 (≠ S60), S43 (≠ G63), C45 (≠ G65), G46 (= G66), C48 (≠ D68), C60 (≠ A80), C100 (= C120), G101 (= G121), C103 (= C123), C135 (= C153), C137 (= C155)

3hrdD Crystal structure of nicotinate dehydrogenase (see paper)
34% identity, 85% coverage: 24:173/177 of query aligns to 6:160/160 of 3hrdD

query
sites
3hrdD

I

I

E

N

V

L

E

N

I

L

N

N

G

G

R

E

P

A

F

R

R

S

H

I

T

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G

T

D

E

P

P

D

N

M

K

P

R

L

L

W

D

Y

L

L

L

R

R

D

E

V

D

L

F

R

G

L

L

T

T

G

S

T

V

K

K

Y
x
E

A

G

S
x
C

D
x
S

H
x
E

G
|
G

L
x
E

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

I

V

F

D

N

K

G

K

D

P

P

V

V

S

T

A

T

A
x
C

S

C

V

M

P

L

M

A

H

G

E

Q

L

A

A

D

D

E

K

S

K

T

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I

T

I

T

T

V

L

E

E

G

G

L

V

A

A

A

E

A

-

D

D

G

G

K

K

L

P

H

S

P

L

L

L

Q

Q

A

C

F

F

V

L

D

E

E

A

D

G

A

A

I

V

G
x
Q

C
|
C

G
|
G

Y

Y

C
|
C

T

T

P

P

G

G

W

M

L

I

I

L

A

T

S

A

L

K

D

A

L

L

N

D

R

K

H

N

P

P

Q

D

P

P

S

T

D

D

D

E

Q

E

I

I

D

T

-

V

-

A

Q

M

L

S

P

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

C

G

Q

Y

T

I

R

K

-

I

-

H

-

A

V

V

R

R

R

Y

A

A

I

V

K

E

R

R

A

C

S

A

A

N

A

A

M

A

A

A

binding flavin-adenine dinucleotide: E44 (≠ H62), G45 (= G63), E46 (≠ L64)
binding fe2/s2 (inorganic) cluster: E40 (≠ Y58), C42 (≠ S60), S43 (≠ D61), G45 (= G63), C47 (≠ G65), G48 (= G66), C50 (≠ D68), C62 (≠ A80), Q100 (≠ G119), C101 (= C120), G102 (= G121), C104 (= C123), C136 (= C153), C138 (= C155)
binding pterin cytosine dinucleotide: Q100 (≠ G119), C138 (= C155)

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)
33% identity, 82% coverage: 24:168/177 of query aligns to 6:151/157 of Q0QLF3

query
sites
Q0QLF3

I

I

E

N

V

L

E

N

I

L

N

N

G

G

R

E

P

A

F

R

R

S

H

I

T

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G

T

D

E

P

P

D

N

M

K

P

R

L

L

W

D

Y

L

L

L

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R

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E

V

D

L

F

R

G

L

L

T

T

G

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K

Y

E

A

G

S
x
C

D

S

H

E

G

G

L

E

G
x
C

G

G

A

A

D
x
C

L

T

V

V

L

I

V

F

D

N

K

G

K

D

P

P

V

V

S

T

A

T

A
x
C

S

C

V

M

P

L

M

A

H

G

E

Q

L

A

A

D

D

E

K

S

K

T

V

I

T

I

T

T

V

L

E

E

G

G

L

V

A

A

A

E

A

-

D

D

G

G

K

K

L

P

H

S

P

L

L

L

Q

Q

A

C

F

F

V

L

D

E

E

A

D

G

A

A

I

V

G

Q

C
|
C

G

G

Y

Y

C
|
C

T

T

P

P

G

G

W

M

L

I

I

L

A

T

S

A

L

K

D

A

L

L

N

D

R

K

H

N

P

P

Q

D

P

P

S

T

D

D

D

E

Q

E

I

I

D

T

-

V

-

A

Q

M

L

S

P

G

N

N

L

L

C
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C

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R

C
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C

G

T

C

G

Q

Y

T

I

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K

V

I

R

H

R

A

A

A

I

V

K

R

R

Y

A

A

C42 (≠ S60) binding
C47 (≠ G65) binding
C50 (≠ D68) binding
C62 (≠ A80) binding
C101 (= C120) binding
C104 (= C123) binding
C136 (= C153) binding
C138 (= C155) binding

1t3qA Crystal structure of quinoline 2-oxidoreductase from pseudomonas putida 86 (see paper)
36% identity, 75% coverage: 24:155/177 of query aligns to 6:138/162 of 1t3qA

query
sites
1t3qA

I

I

E

S

V

A

E

T

I

I

N

N

G

G

R

K

P

P

F

R

R

V

H

F

T

Y

G

V

D

E

P

P

D

R

M

M

P

H

L

L

L

A

W

D

Y

A

L

L

R

R

D

E

V

V

L

V

R

G

L

L

T

T

G

G

T

T

K

K

Y
x
I

A

G

S
x
C

D
x
E

H

Q

G
|
G

L

V

G
x
C

G
|
G

A

S

D
x
C

L

T

V

I

L

L

V

I

D

D

K

G

K

A

P

P

V

M

S
x
R

A

S

A
x
C

S

L

V

T

P

L

M

A

H

V

E

Q

L

A

A

E

D

G

K

C

K

S

V

I

T

E

T

T

V

V

E

E

G

G

L

L

A

S

A

Q

A

G

D

E

G

-

K

K

L

L

H

N

P

A

L

L

Q

Q

Q

D

A

S

F

F

V

R

D

R

E

H

D

H

A

A

I

L

G
x
Q

C
|
C

G
|
G

Y

F

C
|
C

T

T

P

A

G

G

W

M

L

L

I

A

A

T

S

A

L

R

D

S

L

I

L

L

N

A

R

E

H

N

P

P

Q

A

P

P

S

S

D

R

D

D

Q

E

I

V

D

R

Q

E

L

V

-

M

-

S

P

G

N

N

L

L

C
|
C

R

R

C
|
C

binding fe2/s2 (inorganic) cluster: I40 (≠ Y58), C42 (≠ S60), E43 (≠ D61), G45 (= G63), C47 (≠ G65), G48 (= G66), C50 (≠ D68), R60 (≠ S78), C62 (≠ A80), C101 (= C120), G102 (= G121), C104 (= C123), C136 (= C153), C138 (= C155)
binding pterin cytosine dinucleotide: Q100 (≠ G119), C138 (= C155)

P77165 Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA; EC 1.2.99.6 from Escherichia coli (strain K12) (see paper)
33% identity, 93% coverage: 8:172/177 of query aligns to 49:227/229 of P77165

query
sites
P77165

A

A

S

S

N

V

P

P

T

A

S

A

S

T

I

P

T

A

P

P

E

E

K

I

V

M

R

P

D

-

G

-

I

L

E

T

V

L

E

K

I

V

N

N

G

G

R

K

P

T

F

E

R

Q

H

L

T

E

G

V

D

D

P

T

D

R

M

T

P

T

L

L

W

D

Y

T

L

L

R

R

D

E

V

N

L

L

R

H

L

L

T

I

G

G

T

T

K

K

Y

K

A

G

S
x
C

D

D

H

H

G

G

L

Q

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

L

V

V

D

N

K

G

K

R

P

R

V

L

S

N

A

A

A
x
C

S

L

V

T

-

L

-

A

P

V

M

M

H

H

E

Q

L

G

A

A

D

E

K

-

V

I

T

T

V

I

E

E

G

G

L

L

A

G

A

S

A

P

D

D

G

-

K

N

L

L

H

H

P

P

L

M

Q

Q

Q

A

A

A

F

F

V

I

D

K

E

H

D

D

A

G

I

F

G

Q

C
|
C

G

G

Y

Y

C
|
C

T

T

P

S

G

G

W

Q

L

I

I

C

A

S

S

S

L

V

D

A

L

V

L

L

N

K

R

E

-

I

-

Q

-

D

-

G

-

I

-

P

-

S

-

H

-

V

-

T

-

V

-

D

-

L

-

V

-

S

H

A

P

P

Q

E

P

T

S

T

D

A

D

D

Q

E

I

I

D

R

Q

E

L

R

-

M

-

S

P

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

C

A

Q

Y

T

A

R

N

V

I

R

L

R

A

A

A

I

I

K

E

R

D

A

A

S

A

A

G

A

E

M

I

C99 (≠ S60) binding
C104 (≠ G65) binding
G105 (= G66) binding
C107 (≠ D68) binding
C119 (≠ A80) binding
C158 (= C120) binding
C161 (= C123) binding
C208 (= C153) binding
C210 (= C155) binding

5g5gA Escherichia coli periplasmic aldehyde oxidase (see paper)
33% identity, 92% coverage: 8:169/177 of query aligns to 2:173/175 of 5g5gA

query
sites
5g5gA

A

A

S

A

N

T

P

P

T

A

S

P

S

E

I

I

T

M

P

P

E

-

K

-

V

-

R

-

D

-

G

-

I

L

E

T

V

L

E

K

I

V

N

N

G

G

R

K

P

T

F

E

R

Q

H

L

T

E

G

V

D

D

P

T

D

R

M

T

P

T

L

L

W

D

Y

T

L

L

R

R

D

E

V

N

L

L

R

H

L

L

T

I

G

G

T

T

K

K

Y

K

A
x
G

S
x
C

D
|
D

H

H

G
|
G

L

Q

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

L

V

V

D

N

K

G

K

R

P

R

V

L

S

N

A

A

A
x
C

S

L

V

T

-

L

-

A

P

V

M

M

H

H

E

Q

L

G

A

A

D

E

K

-

V

I

T

T

V

I

E

E

G

G

L

L

A

G

A

S

A

P

D

D

G

-

K

N

L

L

H

H

P

P

L

M

Q

Q

Q

A

A

A

F

F

V

I

D

K

E

H

D

D

A

G

I

F

G

Q

C
|
C

G
|
G

Y

Y

C
|
C

T

T

P

S

G

G

W

Q

L

I

I

C

A

S

S

S

L

V

D

A

L

V

L

L

N

K

R

E

-

I

-

Q

-

D

-

G

-

I

-

P

-

S

-

H

-

V

-

T

-

V

-

D

-

L

-

V

-

S

H

A

P

P

Q

E

P

T

S

T

D

A

D

D

Q

E

I

I

D

R

Q

E

L

R

-

M

-

S

P

G

N

N

L

I

C
|
C

R

R

C
|
C

G

G

C

A

Q

Y

T

A

R

N

V

I

R

L

R

A

A

A

I

I

K

E

R

D

A

A

S

A

binding fe2/s2 (inorganic) cluster: G47 (≠ A59), C48 (≠ S60), D49 (= D61), G51 (= G63), C53 (≠ G65), G54 (= G66), C56 (≠ D68), C68 (≠ A80), C107 (= C120), G108 (= G121), C110 (= C123), C157 (= C153), C159 (= C155)

1ffuD Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava which lacks the mo-pyranopterin moiety of the molybdenum cofactor (see paper)
32% identity, 82% coverage: 24:169/177 of query aligns to 5:151/156 of 1ffuD

query
sites
1ffuD

I

I

E

T

V

V

E

N

I

V

N

N

G

G

R

K

P

A

F

Q

R

E

H

K

T

A

G

V

D

E

P

P

D

R

M

T

P

L

L

L

L

I

W

H

Y

F

L

L

R

R

D

E

V

E

L

L

R

N

L

L

T

T

G

G

T

A

K

H

Y

I

A

G

S
x
C

D

E

H

T

G
x
S

L
x
H

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

D

V

I

D

D

K

G

K

R

P

S

V

V

S

K

A

S

A
x
C

S

T

V

H

P

L

M

A

H

V

E

Q

L

C

A

D

D

G

K

S

K

E

V

V

T

L

T

T

V

V

E

E

G

G

L

L

A

A

A

N

A

-

D

K

G

G

K

V

L

L

H

H

P

A

L

V

Q

Q

Q

E

A

G

F

F

V

Y

D

K

E

E

D

H

A

G

I

L

G

Q

C
|
C

G
|
G

Y

F

C
|
C

T

T

P

P

G

G

W

M

L

L

I

M

A

R

S

A

L

Y

D

R

L

F

L

L

N

Q

R

E

H

N

P

P

Q

N

P

P

S

T

D

E

D

A

Q

E

I

I

-

R

-

M

D

G

Q

M

L

T

P

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

C

G

Q

Y

T

Q

R

N

V

I

R

V

R

K

A

A

I

V

K

Q

R

Y

A

A

S

A

binding fe2/s2 (inorganic) cluster: C41 (≠ S60), S44 (≠ G63), H45 (≠ L64), C46 (≠ G65), G47 (= G66), C49 (≠ D68), C61 (≠ A80), C100 (= C120), G101 (= G121), C103 (= C123), C135 (= C153), C137 (= C155)

1ffvA Carbon monoxide dehydrogenase from hydrogenophaga pseudoflava (see paper)
32% identity, 82% coverage: 24:169/177 of query aligns to 4:150/155 of 1ffvA

query
sites
1ffvA

I

I

E

T

V

V

E

N

I

V

N

N

G

G

R

K

P

A

F

Q

R

E

H

K

T

A

G

V

D

E

P

P

D

R

M

T

P

L

L

L

L

I

W

H

Y

F

L

L

R

R

D

E

V

E

L

L

R

N

L

L

T

T

G

G

T

A

K

H

Y
x
I

A

G

S
x
C

D

E

H

T

G
x
S

L

H

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

D

V

I

D

D

K

G

K

R

P

S

V

V

S

K

A

S

A
x
C

S

T

V

H

P

L

M

A

H

V

E

Q

L

C

A

D

D

G

K

S

K

E

V

V

T

L

T

T

V

V

E

E

G

G

L

L

A

A

A

N

A

-

D

K

G

G

K

V

L

L

H

H

P

A

L

V

Q

Q

Q

E

A

G

F

F

V

Y

D

K

E

E

D

H

A

G

I

L

G
x
Q

C
|
C

G
|
G

Y

F

C
|
C

T

T

P

P

G

G

W

M

L

L

I

M

A

R

S

A

L

Y

D

R

L

F

L

L

N

Q

R

E

H

N

P

P

Q

N

P

P

S

T

D

E

D

A

Q

E

I

I

-

R

-

M

D

G

Q

M

L

T

P

G

N

N

L

L

C
|
C

R

R

C
|
C

G

T

C

G

Q

Y

T

Q

R

N

V

I

R

V

R

K

A

A

I

V

K

Q

R

Y

A

A

S

A

binding fe2/s2 (inorganic) cluster: I38 (≠ Y58), C40 (≠ S60), S43 (≠ G63), C45 (≠ G65), G46 (= G66), C48 (≠ D68), C60 (≠ A80), C99 (= C120), G100 (= G121), C102 (= C123), C134 (= C153), C136 (= C155)
binding (molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v): Q98 (≠ G119), C136 (= C155)

1dgjA Crystal structure of the aldehyde oxidoreductase from desulfovibrio desulfuricans atcc 27774 (see paper)
36% identity, 83% coverage: 28:174/177 of query aligns to 8:158/906 of 1dgjA

query
sites
1dgjA

I

V

N

N

G

G

R

M

P

A

F

R

R

R

H

L

T

L

G

V

D

S

P

P

D

N

M

D

P

L

L

L

L

V

W

D

Y

V

L

L

R

R

D

S

V

Q

L

L

R

Q

L

L

T

T

G

S

T

V

K

K

Y
x
V

A
x
G

S
x
C

D
x
G

H

K

G
|
G

L
x
Q

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

I

V

L

D

D

K

G

K

K

P

V

V

V

S
x
R

A

A

A
x
C

S

I

V

I

P

K

M

M

H

S

E

R

L

V

A

A

D

E

K

N

-

A

K

S

V

V

T

T

V

L

E

E

G

G

L

I

A

G

A

A

A

P

D

D

G

-

K

C

L

L

H

H

P

P

L

L

Q

Q

Q

H

A

A

F

W

V

I

D

Q

E

H

D

G

A

A

I

A

G
x
Q

C
|
C

G
|
G

Y

F

C
|
C

T

T

P

P

G

G

W

F

L

I

I

V

A

S

S

A

L

K

D

A

L

L

N

D

R

E

H

N

P

V

Q

A

P

P

S

S

-

R

-

E

-

D

-

V

D

R

D

D

Q

W

I

F

D

Q

Q

K

L

H

P

H

N

N

L

I

C
|
C

R

R

C
|
C

G

T

C

G

Q

Y

T

K

R

P

V

L

R

V

R

D

A

A

I

V

K

M

R

D

A

A

S

A

A

A

A

I

M

L

A

R

G

G

binding fe2/s2 (inorganic) cluster: V38 (≠ Y58), G39 (≠ A59), C40 (≠ S60), G41 (≠ D61), G43 (= G63), Q44 (≠ L64), C45 (≠ G65), G46 (= G66), C48 (≠ D68), R58 (≠ S78), C60 (≠ A80), C100 (= C120), G101 (= G121), C103 (= C123), C137 (= C153), C139 (= C155)
binding pterin cytosine dinucleotide: Q99 (≠ G119), C139 (= C155)

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

2w54A Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus in complex with bound inhibitor pterin-6-aldehyde (see paper)
37% identity, 75% coverage: 24:155/177 of query aligns to 3:136/450 of 2w54A

query
sites
2w54A

I

I

E

A

V

F

E

L

I

L

N

N

G

G

R

E

P

T

F

R

R

R

-

V

H

R

T

I

G

E

D

D

P

P

D

T

M

Q

P

S

L

L

W

E

Y

W

L

L

R

R

D

-

V

A

L

E

R

G

L

L

T

T

G

G

T

T

K

K

Y

E

A
x
G

S
x
C

D
x
N

H

E

G
|
G

L

D

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

M

V

I

-

R

-

D

-

A

D

G

K

S

K

R

P

A

V

V

S

N

A

A

A
x
C

S

L

V

M

P

M

M

L

H

P

E

Q

L

I

A

A

D

G

K

K

K

A

V

L

T

R

T

T

V

I

E

E

G

G

L

I

A

A

A

P

D

D

G

G

K

R

L

L

H

H

P

P

L

V

Q

Q

A

A

F

M

V

I

D

D

E

H

D

H

A

G

I

S

G
x
Q

C
|
C

G
|
G

Y

F

C
|
C

T

T

P

P

G

G

W

F

L

I

I

V

A

S

S

M

L

A

D

A

L

A

L

H

N

D

R

R

H

D

P

R

Q

K

P

D

S

Y

D

D

Q

L

I

L

D

A

Q

G

L

-

P

-

N

N

L

L

C
|
C

R
|
R

C
|
C

binding flavin-adenine dinucleotide: G42 (= G63)
binding fe2/s2 (inorganic) cluster: G38 (≠ A59), C39 (≠ S60), N40 (≠ D61), G42 (= G63), C44 (≠ G65), G45 (= G66), C47 (≠ D68), C63 (≠ A80), C103 (= C120), G104 (= G121), C106 (= C123), C134 (= C153), R135 (= R154), C136 (= C155)
binding {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum: Q102 (≠ G119), C136 (= C155)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 189, 191, 192, 193, 194, 195, 196, 199, 213, 258, 259, 267, 268, 271, 272, 274, 275, 280, 281, 318, 324, 347

1jroA Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus (see paper)
37% identity, 75% coverage: 24:155/177 of query aligns to 3:136/450 of 1jroA

query
sites
1jroA

I

I

E

A

V

F

E

L

I

L

N

N

G

G

R

E

P

T

F

R

R

R

-

V

H

R

T

I

G

E

D

D

P

P

D

T

M

Q

P

S

L

L

W

E

Y

L

L

L

R

R

D

-

V

A

L

E

R

G

L

L

T

T

G

G

T

T

K

K

Y
x
E

A
x
G

S
x
C

D
x
N

H

E

G
|
G

L
x
D

G
x
C

G
|
G

A

A

D
x
C

L

T

V

V

L

M

V

I

-

R

-

D

-

A

D

G

K

S

K

R

P

A

V

V

S

N

A

A

A
x
C

S

L

V

M

P

M

M

L

H

P

E

Q

L

I

A

A

D

G

K

K

K

A

V

L

T

R

T

T

V

I

E

E

G

G

L

I

A

A

A

P

D

D

G

G

K

R

L

L

H

H

P

P

L

V

Q

Q

A

A

F

M

V

I

D

D

E

H

D

H

A

G

I

S

G

Q

C
|
C

G

G

Y

F

C
|
C

T

T

P

P

G

G

W

F

L

I

I

V

A

S

S

M

L

A

D

A

L

A

L

H

N

D

R

R

H

D

P

R

Q

K

P

D

S

Y

D

D

Q

L

I

L

D

A

Q

G

L

-

P

-

N

N

L

L

C
|
C

R

R

C
|
C

binding flavin-adenine dinucleotide: G42 (= G63), D43 (≠ L64)
binding fe2/s2 (inorganic) cluster: E37 (≠ Y58), G38 (≠ A59), C39 (≠ S60), N40 (≠ D61), G42 (= G63), C44 (≠ G65), G45 (= G66), C47 (≠ D68), C63 (≠ A80), C103 (= C120), C106 (= C123), C134 (= C153), C136 (= C155)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 189, 191, 192, 193, 194, 195, 196, 258, 259, 268, 271, 272, 274, 280, 281, 318, 324

O54754 Aldehyde oxidase 1; Azaheterocycle hydroxylase 1; Retinal oxidase; EC 1.2.3.1; EC 1.17.3.- from Mus musculus (Mouse) (see paper)
43% identity, 67% coverage: 38:155/177 of query aligns to 21:150/1333 of O54754

query
sites
O54754

D

D

P

P

D

E

M

M

P

M

L

L

W

P

Y

Y

L

L

R

R

D

K

V

N

L

L

R

R

L

L

T

T

G

G

T

T

K

K

Y

Y

A

G

S

C

D

G

H

G

G

G

L

G

G

C

G

G

A

A

D

C

L

T

V

V

L

M

V

I

D

S

K

R

-

Y

-

N

-

P

-

S

-

T

-

K

-

A

-

I

-

R

-

H

K

H

P

P

V

V

S

N

A

A

A

C

S

L

V

T

P

P

M

I

H

C

E

S

L

L

A

H

D

G

K

T

K

A

V

V

T

T

V

V

E

E

G

G

L

L

A

G

A

N

A

T

D

R

G

T

K

R

L

L

H

H

P

P

L

I

Q

Q

Q

E

A

R

F

I

V

A

D

K

E

C

D

H

A

G

I

T

G

Q

C

C

G

G

Y

F

C

C

T

T

P

P

G

G

W

M

L

V

I

M

A

S

S

M

L

Y

D

A

L

L

N

R

R

N

H

H

P

P

Q

E

P

P

S

T

D

L

D

D

Q

Q

I

L

-

T

D

D

Q

A

L

L

-

G

P

G

N

N

L

L

C

C

R

R

C

C

Sites not aligning to the query:

806 V→E: Decreases substrate affinity and activity on benzaldehyde, phthalazine and acetaldehyde, while increases affinity for more hydrophobic aldehydes like retinal. Abolishes catalytic activity; when associated with R-884.
884 M→R: Abolishes catalytic activity on phthalazine and acetaldehyde. Decreases catalytic efficiency on benzaldehyde and retinal. Abolishes catalytic activity; when associated with E-806.
1265 E→Q: Abolishes catalytic activity.

Query Sequence

>N515DRAFT_4010 FitnessBrowser__Dyella79:N515DRAFT_4010
MAQAQALASNPTSSITPEKVRDGIEVEINGRPFRHTGDPDMPLLWYLRDVLRLTGTKYAS
DHGLGGADLVLVDKKPVSAASVPMHELADKKVTTVEGLAAADGKLHPLQQAFVDEDAIGC
GYCTPGWLIASLDLLNRHPQPSDDQIDQLPNLCRCGCQTRVRRAIKRASAAMAGGHA

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