SitesBLAST

43 binding
48 binding
51 binding
73 binding
112 binding
115 binding
147 binding
149 binding
256:263 binding
335:336 WF→AL: Converts the enzyme to the oxidase form that utilizes molecular oxygen as electron acceptor. Interferes with normal conversion to the dehydrogenase form by reducing agents.
346:350 binding
359 binding
403 binding
535 C→A: Slows the conversion from the dehydrogenase form to the oxidase form; when associated with R-992. Abolishes conversion from the dehydrogenase form to the oxidase form; when associated with R-992 and S-1316.
992 C→R: Slows the conversion from the dehydrogenase form to the oxidase form; when associated with A-535. Abolishes conversion from the dehydrogenase form to the oxidase form; when associated with A-535 and S-1316.
1316 C→S: Abolishes conversion from the dehydrogenase form to the oxidase form; when associated with A-535 and R-992.

Q0QLF2 Nicotinate dehydrogenase large molybdopterin subunit; NDH; Nicotinic acid hydroxylase large molybdopterin subunit; NAH; EC 1.17.1.5 from Eubacterium barkeri (Clostridium barkeri) (see 2 papers)
28% identity, 48% coverage: 220:580/756 of query aligns to 4:381/425 of Q0QLF2

query
sites
Q0QLF2

N
x
D

F
x
Y

K
x
Q

L
x
V

I
x
L

G
|
G

K
|
K

P
x
N

L
x
K

R
x
V

R
x
K

I
x
V

E
x
D

A
x
S

A
x
L

S
x
E

K
|
K

I
x
V

N
x
M

G
|
G

T
|
T

A
|
A

R
x
K

F
|
F

G
x
A

I
x
A

D
|
D

V
x
Y

-
x
S

L
x
F

P
|
P

D
|
D

G

-

L
x
M

L
|
L

Y
|
Y

A
|
A

S
x
G

V
|
V

E
x
F

M
x
R

C
x
S

P
x
T

T
x
V

L
x
P

G
x
H

G
x
A

S
x
R

V
x
I

A
x
V

K
x
S

F
x
L

D
|
D

A
x
L

T
x
S

A
x
K

A
|
A

G
x
R

K
x
A

M
x
I

P
x
D

G
|
G

F
x
V

I
x
E

K
x
A

A
x
V

F
x
L

A
x
D

V
x
Y

A
x
H

P
x
A

Y
x
I

N
x
P

G
|
G

G
x
K

T
x
N

G
x
R

G
x
F

V
x
G

A
x
I

V
x
I

I
|
I

A
x
K

D
|
D

N
x
E

P
|
P

F
x
C

-
x
L

-
x
V

-
x
D

-
x
K

-
x
V

-
x
R

R
|
R

A
x
Y

M
x
G

N
x
D

A
|
A

V
x
I

A
|
A

A
x
V

V
|
V

-
x
A

-
x
Q

-
x
T

-
x
P

D
|
D

V
x
L

T
x
V

W
x
Q

H
x
E

-
x
A

-
x
L

D
|
D

G
x
A

P
x
I

A
x
T

A
x
I

K
x
E

L
x
Y

S
x
E

N
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E

A
x
L

D
x
E

A
x
G

D
x
I

R
x
F

R
x
T

L
x
M

A
x
E

Q
x
R

A
|
A

L
|
L

D
x
E

-
x
E

-
x
D

-
x
S

-
x
P

-
x
A

-
x
I

-
x
H

-
x
G

D
|
D

N
x
T

D
x
N

G
x
I

H
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H

A
x
Q

Y
x
V

Y
x
K

H
|
H

L
|
L

-
x
E

-
x
Y

G
|
G

D
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D

V
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V

D
|
D

A
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A

L
x
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T
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K

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x
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A
x
C

A
x
D

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E

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E
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A
x
T

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Y
x
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L

A
x
T

H
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H

G
x
M

A
x
F

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x
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E
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E

P
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P

L

-

N
x
D

C
x
A

T
x
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V
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V

Q
x
S

V
x
Y

A
x
Y

D
|
D

-
x
N

-
x
E

G
|
G

A
x
M

A
x
L

T
|
T

V
|
V

W
x
V

V
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V

S
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S

T
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T

Q
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Q

M
x
N

P
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P

G
x
H

L
x
Y

A
x
D

R
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R

H
x
G

H
x
E

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V

A
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A

K
x
G

V
x
M

L
|
L

D
x
A

L
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L

D
x
P

A
x
N

D
x
S

K
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K

V
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V

D
x
R

V
x
I

Q
x
I

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x
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F
x
A

L
x
T

G
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G

A
x
G

F
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F

G
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G

R
x
G

R
x
K

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L

E
x
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L

D
x
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V

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x
Q

A
x
C

Q
x
H

A
x
C

A
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A

A
x
L

I
x
L

A
x
T

R
x
Y

E
x
H

G

-

G
x
T

G
x
K

R
x
K

P
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P

V
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V

Q
x
K

T
x
M

L
x
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W
x
R

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S

R
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R

A
x
E

Q
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E

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x
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T

T
|
T

H
x
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D
x
S

F
x
S

Y
x
K

R
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R

P
x
H

A
x
P

C
x
M

L
x
T

S
x
M

R
x
H

L
x
C

K
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K

A
x
T

G
|
G

F
x
A

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x
T

N
x
K

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D

G
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G

K
x
R

L
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L

V
x
Q

A
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A

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V

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Q

A
x
V

A

-

S

-

A

-

S

-

Q
x
E

A
x
M

I
x
F

V
x
G

P
x
D

E
x
T

A
x
G

L
x
A

A
x
Y

R
x
A

Y
x
S

Y
|
Y

G
|
G

A
x
P

P
x
A

R
x
V

L
x
I

P
x
T

I
x
R

D
x
A

K
x
T

T
x
V

T
x
H

C
|
C

E
x
M

G
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G

A

-

F

-

D

-

Q

-

P
|
P

Y
|
Y

E
x
V

W
x
V

P
|
P

A
x
N

A
x
V

R
|
R

V
|
V

A
x
D

H
x
A

K
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K

I
x
F

V
|
V

E
x
Y

L
x
T

P
x
N

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x
N

P
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P

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x
M

-
x
S

G
|
G

F
x
A

W
x
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R

S
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G

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x
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G
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G

H
x
V

S
x
P

H
x
Q

Q
x
A

A
x
S

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x
V

F
x
C

T
x
H

E
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E

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G

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M

D
x
N

E
x
A

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L

A
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A

V
x
K

A
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A

T
x
L

G
|
G

K
x
M

D
|
D

P
|
P

I
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I

A
x
D

F
x
I

R
|
R

Q208 (= Q399) binding
GFG 238:240 (≠ AFG 429:431) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2:425 modified: mature protein, Nicotinate dehydrogenase large molybdopterin subunit

6a7xA Rat xanthine oxidoreductase, d428a variant, NAD bound form
25% identity, 47% coverage: 216:573/756 of query aligns to 538:908/1295 of 6a7xA

query
sites
6a7xA

K

K

D

D

P

Q

A

S

N

E

F

E

K

D

L

M

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

A

N

S

M

K

Q

I

A

N

S

G

G

T

E

A

A

R

V

F

Y

G

C

I

D

D

D

V

I

-

P

L

R

P

Y

D

E

G

N

L

E

L

L

Y

S

A

L

S

R

V

L

E

V

M

T

C

S

P

T

T

R

L

A

G

H

G

A

S

K

V

I

A

T

K

S

F

I

D

D

A

T

T

S

A

E

A

A

G

K

K

K

M

V

P

P

G

G

F

F

I

V

K

-

A

C

F

F

A

L

V

T

A

A

-

E

-

D

-

V

P

P

Y

N

N

S

G

N

G

A

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

E

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

R

H

A

A

M

Q

N

R

A

A

V

A

A

R

A

G

V

V

D

K

V

I

T

T

W

Y

H

E

D

D

G

L

P

P

A

A

A

I

K

I

L

T

S

-

N

-

A

-

D

-

A

-

D

-

R

-

L

I

A

Q

Q

D

A

A

L

I

D

N

N

N

D

S

G

F

H

Y

A

G

-

S

-

E

-

I

Y

K

Y

I

H

E

L

K

G

G

D

D

V

L

D

K

A

K

A

G

L

F

T

S

R

E

A

A

A

D

R

N

T

V

V

V

S

S

A

G

E

E

Y

L

R

Y

A

I

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V

L

E

E

P

-

L

T

N

N

C

C

T

T

V

I

Q

A

V

V

A

P

D

K

G

G

A

E

A

A

-

G

-

E

-

M

T

E

V

L

W

F

V

V

S

S

T

T

Q
|
Q

M

N

P

T

G

M

L

K

A

T

R

Q

H

S

H

F

V

V

A

A

K

K

V

M

L

L

D

G

L

V

D

P

A

D

D

N

K

R

V

I

D

V

V

V

Q

R

T

V

F

K

L

R

L

M

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

S

D

T

F

V

I

V

A

S

Q

T

A

A

A

L

A

A

I

L

A

A

R

A

E

H

G

K

G

T

G

G

R

R

P

P

V

V

Q

R

T

C

L

M

W

L

S

D

R

R

A

D

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R
|
R

P
x
H

A

P

C

F

L

L

S

A

R

K

L

Y

K

K

A

V

G

G

F

F

D

M

N

K

D

T

G

G

K

T

L

V

V

V

A

A

W

L

Q

E

A

V

A

A

S

H

A

F

S

S

Q

N

A

G

I

G

V

N

P

T

E

E

A

D

L

L

A

S

R

R

Y

S

Y
x
I

G

M

A

E

P
x
R

R

A

L

L

P

-

I

-

D

-

K

-

T

-

C

-

E

-

G

F

A
x
H

F

M

D

D

Q

N

P

A

Y

Y

E

K

W

I

P

P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

I

V

C

E

K

L

T

P

N

V

L

P

P

V

S

G

N

F

T

-
x
A

W
x
F

R
|
R

S

G

V
x
F

G
|
G

H

G

S

P

H
x
Q

Q

G

A

M

F

L

F

I

T

A

E

E

G

Y

F

W

T

M

D

S

E

E

L

V

A

A

V

I

A

T

T

C

G

G

active site: Q740 (= Q399), E775 (≠ R433), R853 (≠ P511), H857 (≠ A523), R885 (= R550)
binding bicarbonate ion: R812 (= R470), H813 (≠ P471), I850 (≠ Y508), A883 (vs. gap), F884 (≠ W549), F887 (≠ V552), G888 (= G553), Q891 (≠ H556)
binding uric acid: E775 (≠ R433), R853 (≠ P511), F887 (≠ V552)

Sites not aligning to the query:

active site: 1233, 1234
binding flavin-adenine dinucleotide: 44, 228, 229, 230, 231, 232, 233, 234, 235, 236, 309, 314, 319, 322, 323, 325, 326, 332, 376
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 69, 71, 109, 110, 111, 113, 145, 147
binding nicotinamide-adenine-dinucleotide: 329, 365, 366, 432, 433, 473, 480
binding uric acid: 982, 983, 1052, 1234

3hrdE Crystal structure of nicotinate dehydrogenase (see paper)
28% identity, 48% coverage: 220:580/756 of query aligns to 3:380/420 of 3hrdE

query
sites
3hrdE

N

D

F

Y

K

Q

L

V

I

L

G

G

K

K

P

N

L

K

R

V

R

K

I

V

E

D

A

S

A

L

S

E

K

K

I

V

N

M

G

G

T

T

A

A

R

K

F

F

G

A

I

A

D

D

V

Y

-

S

L

F

P

P

D

D

G

-

L

M

L

L

Y

Y

A

A

S

G

V

V

E

F

M

R

C

S

P

T

T

V

L

P

G

H

G

A

S

R

V

I

A

V

K

S

F

L

D

D

A

L

T

S

A

K

A

A

G

R

K

A

M

I

P

D

G

G

F

V

I

E

K

A

A

V

F

L

A

D

V

Y

A

H

P

A

Y

I

N

P

G

G

G

K

T

N

G

R

G

F

V

G

A

I

V

I

I

I

A

K

D

D

N

E

P

P

F

C

-

L

-

V

-

D

-

K

-

V

-

R

R

R

A

Y

M

G

N

D

A

A

V

I

A

A

A

V

V

V

-

A

-

Q

-

T

-

P

D

D

V

L

T

V

W

Q

H

E

-

A

-

L

D

D

G

A

P

I

A

T

A

I

K

E

L

Y

S

E

N

E

A

L

D

E

A

G

D

I

R

F

R

T

L

M

A

E

Q

R

A

A

L

L

D

E

-

E

-

D

-

S

-

P

-

A

-

I

-

H

-

G

D

D

N

T

D

N

G

I

H

H

A

Q

Y

V

Y

K

H

H

L

L

-

E

-

Y

G

G

D

D

V

V

D

D

A

A

L

F

T

K

R

Q

A

C

A

D

R

I

T

V

V

V

S

E

A

D

E

T

Y

Y

R

S

A

T

P

H

Y

R

L

L

A

T

H

H

G

M

A

F

V

I

E

E

P

P

L

-

N

D

C

A

T

G

V

V

Q

S

V

Y

A

Y

D

D

-

N

-

E

G

G

A

M

A

L

T

T

V

V

W

V

V

V

S

S

T
|
T

Q
|
Q

M
x
N

P

P

G

H

L

Y

A
x
D

R

R

H

G

H

E

V

V

A

A

K

G

V

M

L

L

D

A

L

L

D

P

A

N

D

S

K

K

V

V

D

R

V

I

Q

I

T

Q

F

A

L

T

G

G

A
x
G

F
|
F

G

G

R

G

R
x
K

L
|
L

E
x
D

L

L

D

S

F

V

I

Q

A

C

Q

H

A

C

A

A

A

L

I

L

A

T

R

Y

E

H

G

-

G

T

G

K

R

K

P

P

V

V

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K

T

M

L

V

W

R

S

S

R

R

A

E

Q

E

D

S

F

T

T

T

H

V

D

S

F

S

Y

K

R

R

P

H

A

P

C

M

L

T

S

M

R

H

L

C

K

K

A

T

G

G

F

A

D

T

N

K

D

D

G

G

K

R

L

L

V

Q

A

A

W

V

Q

Q

A

V

A

-

S

-

A

-

S

-

Q

E

A

M

I

F

V

G

P

D

E

T

A

G

L

A

A

Y

R

A

Y

S

Y

Y

G

G

A

P

P

A

R

V

L

I

P

T

I
x
R

D

A

K

T

T

V

T
x
H

C

C

E

M

G

G

A

-

F

-

D

-

Q

-

P

P

Y

Y

E

V

W

V

P

P

A

N

A

V

R

R

V

V

A

D

H

A

K

K

I

F

V

V

E

Y

L

T

P

N

V

N

P

P

V

M

-

S

G

G

F
x
A

W
x
F

R
|
R

S

G

V

F

G

G

H

V

S

P

H

Q

Q

A

A

S

F

V

F

C

T

H

E

E

G

G

F

Q

T

M

D

N

E

A

L

L

A

A

V

K

A

A

T

L

G

G

K

M

D

D

P

P

I

I

A

D

F

I

R

R

active site: Q207 (= Q399), L242 (= L434), R318 (≠ I515), H322 (≠ T519), R350 (= R550)
binding calcium ion: T206 (= T398), N208 (≠ M400), D212 (≠ A404), K241 (≠ R433), L242 (= L434), D243 (≠ E435)
binding pterin cytosine dinucleotide: G237 (≠ A429), F238 (= F430), R350 (= R550)
binding selenium atom: F238 (= F430), A348 (≠ F548), F349 (≠ W549), R350 (= R550)

3hrdA Crystal structure of nicotinate dehydrogenase (see paper)
28% identity, 48% coverage: 220:580/756 of query aligns to 3:380/420 of 3hrdA

query
sites
3hrdA

N

D

F

Y

K

Q

L

V

I

L

G

G

K

K

P

N

L

K

R

V

R

K

I

V

E

D

A

S

A

L

S

E

K

K

I

V

N

M

G

G

T

T

A

A

R

K

F

F

G

A

I

A

D

D

V

Y

-

S

L

F

P

P

D

D

G

-

L

M

L

L

Y

Y

A

A

S

G

V

V

E

F

M

R

C

S

P

T

T

V

L

P

G

H

G

A

S

R

V

I

A

V

K

S

F

L

D

D

A

L

T

S

A

K

A

A

G

R

K

A

M

I

P

D

G

G

F

V

I

E

K

A

A

V

F

L

A

D

V

Y

A

H

P

A

Y

I

N

P

G

G

G

K

T

N

G

R

G

F

V

G

A

I

V

I

I

I

A

K

D

D

N

E

P

P

F

C

-

L

-

V

-

D

-

K

-

V

-

R

R

R

A

Y

M

G

N

D

A

A

V

I

A

A

A

V

V

V

-

A

-

Q

-

T

-

P

D

D

V

L

T

V

W

Q

H

E

-

A

-

L

D

D

G

A

P

I

A

T

A

I

K

E

L

Y

S

E

N

E

A

L

D

E

A

G

D

I

R

F

R

T

L

M

A

E

Q

R

A

A

L

L

D

E

-

E

-

D

-

S

-

P

-

A

-

I

-

H

-

G

D

D

N

T

D

N

G

I

H

H

A

Q

Y

V

Y

K

H

H

L

L

-

E

-

Y

G

G

D

D

V

V

D

D

A

A

L

F

T

K

R

Q

A

C

A

D

R

I

T

V

V

V

S

E

A

D

E

T

Y

Y

R

S

A

T

P

H

Y

R

L

L

A

T

H

H

G

M

A

F

V

I

E

E

P

P

L

-

N

D

C

A

T

G

V

V

Q

S

V

Y

A

Y

D

D

-

N

-

E

G

G

A

M

A

L

T

T

V

V

W

V

V

V

S

S

T
|
T

Q
|
Q

M
x
N

P

P

G

H

L

Y

A
x
D

R

R

H

G

H

E

V

V

A

A

K

G

V

M

L

L

D

A

L

L

D

P

A

N

D

S

K

K

V

V

D

R

V

I

Q

I

T

Q

F

A

L

T

G

G

G
|
G

A
x
G

F
|
F

G
|
G

R

G

R
x
K

L
|
L

E
x
D

L

L

D

S

F

V

I

Q

A

C

Q

H

A

C

A

A

A

L

I

L

A

T

R

Y

E

H

G

-

G

T

G

K

R

K

P

P

V

V

Q

K

T

M

L

V

W

R

S

S

R

R

A

E

Q

E

D

S

F

T

T

T

H

V

D

S

F

S

Y

K

R

R

P

H

A

P

C

M

L

T

S

M

R

H

L

C

K

K

A

T

G

G

F

A

D

T

N

K

D

D

G

G

K

R

L

L

V

Q

A

A

W

V

Q

Q

A

V

A

-

S

-

A

-

S

-

Q

E

A

M

I

F

V

G

P

D

E
x
T

A

G

L

A

A
x
Y

R
x
A

Y

S

Y

Y

G

G

A

P

P
x
A

R

V

L

I

P

T

I
x
R

D

A

K

T

T

V

T
x
H

C

C

E

M

G

G

A

-

F

-

D

-

Q

-

P

P

Y

Y

E

V

W

V

P

P

A

N

A

V

R

R

V

V

A

D

H

A

K

K

I

F

V

V

E

Y

L

T

P

N

V

N

P

P

V

M

-
x
S

G

G

F
x
A

W
x
F

R
|
R

S

G

V
x
F

G

G

H

V

S

P

H

Q

Q

A

A

S

F

V

F

C

T

H

E

E

G

G

F

Q

T

M

D

N

E

A

L

L

A

A

V

K

A

A

T

L

G

G

K

M

D

D

P

P

I

I

A

D

F

I

R

R

active site: Q207 (= Q399), L242 (= L434), R318 (≠ I515), H322 (≠ T519), R350 (= R550)
binding pterin cytosine dinucleotide: G236 (= G428), G237 (≠ A429), F238 (= F430), R350 (= R550)
binding magnesium ion: T206 (= T398), N208 (≠ M400), D212 (≠ A404), K241 (≠ R433), L242 (= L434), D243 (≠ E435), T305 (≠ E502), Y308 (≠ A505), A309 (≠ R506), S346 (vs. gap)
binding nicotinic acid: A314 (≠ P511), R318 (≠ I515), F352 (≠ V552)
binding selenium atom: F238 (= F430), G239 (= G431), A348 (≠ F548), F349 (≠ W549), R350 (= R550)

6a7xB Rat xanthine oxidoreductase, d428a variant, NAD bound form
25% identity, 47% coverage: 216:573/756 of query aligns to 536:906/1291 of 6a7xB

query
sites
6a7xB

K

K

D

D

P

Q

A

S

N

E

F

E

K

D

L

M

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

A

N

S

M

K

Q

I

A

N

S

G

G

T

E

A

A

R

V

F

Y

G

C

I

D

D

D

V

I

-

P

L

R

P

Y

D

E

G

N

L

E

L

L

Y

S

A

L

S

R

V

L

E

V

M

T

C

S

P

T

T

R

L

A

G

H

G

A

S

K

V

I

A

T

K

S

F

I

D

D

A

T

T

S

A

E

A

A

G

K

K

K

M

V

P

P

G

G

F

F

I

V

K

-

A

C

F

F

A

L

V

T

A

A

-

E

-

D

-

V

P

P

Y

N

N

S

G

N

G

A

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

E

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

R

H

A

A

M

Q

N

R

A

A

V

A

A

R

A

G

V

V

D

K

V

I

T

T

W

Y

H

E

D

D

G

L

P

P

A

A

A

I

K

I

L

T

S

-

N

-

A

-

D

-

A

-

D

-

R

-

L

I

A

Q

Q

D

A

A

L

I

D

N

N

N

D

S

G

F

H

Y

A

G

-

S

-

E

-

I

Y

K

Y

I

H

E

L

K

G

G

D

D

V

L

D

K

A

K

A

G

L

F

T

S

R

E

A

A

A

D

R

N

T

V

V

V

S

S

A

G

E

E

Y

L

R

Y

A

I

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V
x
L

E

E

P

-

L

T

N

N

C

C

T

T

V

I

Q

A

V

V

A

P

D

K

G

G

A

E

A

A

-

G

-

E

-

M

T

E

V

L

W

F

V

V

S

S

T

T

Q
|
Q

M

N

P

T

G

M

L

K

A

T

R

Q

H

S

H

F

V

V

A

A

K

K

V

M

L

L

D

G

L

V

D

P

A

D

D

N

K

R

V

I

D

V

V

V

Q

R

T

V

F

K

L

R

L

M

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

S

D

T

F

V

I

V

A

S

Q

T

A

A

A

L

A

A

I

L

A

A

R

A

E

H

G

K

G

T

G

G

R

R

P

P

V

V

Q

R

T

C

L

M

W

L

S

D

R

R

A

D

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R
|
R

P
x
H

A

P

C

F

L

L

S

A

R

K

L

Y

K

K

A

V

G

G

F

F

D

M

N

K

D

T

G

G

K

T

L

V

V

V

A

A

W

L

Q

E

A

V

A

A

S

H

A

F

S

S

Q

N

A

G

I

G

V

N

P

T

E

E

A

D

L

L

A

S

R

R

Y

S

Y

I

G

M

A

E

P
x
R

R

A

L

L

P

-

I

-

D

-

K

-

T

-

C

-

E

-

G

F

A
x
H

F

M

D

D

Q

N

P

A

Y

Y

E

K

W

I

P

P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

I

V

C

E

K

L

T

P

N

V

L

P

P

V

S

G

N

F
x
T

-
x
A

W

F

R
|
R

S

G

V
x
F

G
|
G

H

G

S

P

H
x
Q

Q

G

A

M

F

L

F

I

T

A

E

E

G

Y

F

W

T

M

D

S

E

E

L

V

A

A

V

I

A

T

T

C

G

G

active site: Q738 (= Q399), E773 (≠ R433), R851 (≠ P511), H855 (≠ A523), R883 (= R550)
binding bicarbonate ion: R810 (= R470), H811 (≠ P471), T880 (≠ F548), A881 (vs. gap), F885 (≠ V552), G886 (= G553), Q889 (≠ H556)
binding fe2/s2 (inorganic) cluster: L715 (≠ V378)
binding uric acid: E773 (≠ R433), R851 (≠ P511), F885 (≠ V552)

Sites not aligning to the query:

active site: 1231, 1232
binding flavin-adenine dinucleotide: 44, 227, 228, 229, 230, 231, 232, 233, 234, 307, 312, 317, 320, 321, 323, 324, 330, 373, 374
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 69, 71, 109, 110, 111, 113, 145, 147
binding nicotinamide-adenine-dinucleotide: 327, 363, 364, 428, 430, 431, 471, 478
binding uric acid: 980, 981, 1049, 1050, 1232

4yswA Structure of rat xanthine oxidoreductase, c-terminal deletion protein variant, nadh bound form (see paper)
25% identity, 47% coverage: 216:573/756 of query aligns to 536:906/1286 of 4yswA

query
sites
4yswA

K

K

D

D

P

Q

A

S

N

E

F

E

K

D

L

M

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

A

N

S

M

K

Q

I

A

N

S

G

G

T

E

A

A

R

V

F

Y

G

C

I

D

D

D

V

I

-

P

L

R

P

Y

D

E

G

N

L

E

L

L

Y

S

A

L

S

R

V

L

E

V

M

T

C

S

P

T

T

R

L

A

G

H

G

A

S

K

V

I

A

T

K

S

F

I

D

D

A

T

T

S

A

E

A

A

G

K

K

K

M

V

P

P

G

G

F

F

I

V

K

-

A

C

F

F

A

L

V

T

A

A

-

E

-

D

-

V

P

P

Y

N

N

S

G

N

G

A

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

E

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

R

H

A

A

M

Q

N

R

A

A

V

A

A

R

A

G

V

V

D

K

V

I

T

T

W

Y

H

E

D

D

G

L

P

P

A

A

A

I

K

I

L

T

S

-

N

-

A

-

D

-

A

-

D

-

R

-

L

I

A

Q

Q

D

A

A

L

I

D

N

N

N

D

S

G

F

H

Y

A

G

-

S

-

E

-

I

Y

K

Y

I

H

E

L

K

G

G

D

D

V

L

D

K

A

K

A

G

L

F

T

S

R

E

A

A

A

D

R

N

T

V

V

V

S

S

A

G

E

E

Y

L

R

Y

A

I

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V
x
L

E

E

P

-

L

T

N

N

C

C

T

T

V

I

Q

A

V

V

A

P

D

K

G

G

A

E

A

A

-

G

-

E

-

M

T

E

V

L

W

F

V

V

S

S

T

T

Q
|
Q

M

N

P

T

G

M

L

K

A

T

R

Q

H

S

H

F

V

V

A

A

K

K

V

M

L

L

D

G

L

V

D

P

A

D

D

N

K

R

V

I

D

V

V

V

Q

R

T

V

F

K

L

R

L

M

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

S

D

T

F

V

I

V

A

S

Q

T

A

A

A

L

A

A

I

L

A

A

R

A

E

H

G

K

G

T

G

G

R

R

P

P

V

V

Q

R

T

C

L

M

W

L

S

D

R

R

A

D

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R
|
R

P
x
H

A

P

C

F

L

L

S

A

R

K

L

Y

K

K

A

V

G

G

F

F

D

M

N

K

D

T

G

G

K

T

L

V

V

V

A

A

W

L

Q

E

A

V

A

A

S

H

A

F

S

S

Q

N

A
x
G

I

G

V

N

P
x
T

E
|
E

A

D

L

L

A
x
S

R

R

Y

S

Y
x
I

G

M

A

E

P
x
R

R

A

L

L

P

-

I

-

D

-

K

-

T

-

C

-

E

-

G

F

A
x
H

F

M

D

D

Q

N

P

A

Y

Y

E

K

W

I

P

P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

I

V

C

E

K

L

T

P

N

V

L

P

P

V
x
S

G
x
N

F
x
T

-
x
A

W
x
F

R
|
R

S

G

V
x
F

G
|
G

H

G

S

P

H
x
Q

Q

G

A

M

F

L

F

I

T

A

E

E

G

Y

F

W

T

M

D

S

E

E

L

V

A

A

V

I

A

T

T

C

G

G

active site: Q738 (= Q399), E773 (≠ R433), R851 (≠ P511), H855 (≠ A523), R883 (= R550)
binding bicarbonate ion: R810 (= R470), H811 (≠ P471), I848 (≠ Y508), T880 (≠ F548), A881 (vs. gap), F882 (≠ W549), F885 (≠ V552), G886 (= G553), Q889 (≠ H556)
binding calcium ion: G838 (≠ A498), T841 (≠ P501), E842 (= E502), S845 (≠ A505), S878 (≠ V546), N879 (≠ G547)
binding fe2/s2 (inorganic) cluster: L715 (≠ V378)
binding uric acid: E773 (≠ R433), R851 (≠ P511), F885 (≠ V552)

Sites not aligning to the query:

active site: 1231, 1232
binding flavin-adenine dinucleotide: 44, 226, 227, 228, 229, 230, 231, 232, 233, 234, 307, 308, 312, 316, 317, 320, 321, 323, 324, 329, 330, 373, 374, 399
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 113, 145, 147
binding 1,4-dihydronicotinamide adenine dinucleotide: 233, 326, 327, 328, 363, 364, 400, 401, 428, 430, 431, 471, 478, 1196
binding uric acid: 980, 981, 1050, 1232

5y6qC Crystal structure of an aldehyde oxidase from methylobacillus sp. Ky4400 (see paper)
24% identity, 47% coverage: 224:580/756 of query aligns to 7:374/748 of 5y6qC

query
sites
5y6qC

I

L

G

G

K

A

P

A

L

R

R

S

R

R

I

G

E

D

A

G

A

R

S

V

K

K

I

V

N

I

G

G

T

E

A

A

R

R

F

Y

G

A

I

I

D

E

V

H

L

Q

P

P

D

E

G

N

L

P

L

L

Y

Y

A

G

S

V

V

V

E

L

M

Q

C

S

P

T

T

V

L

A

G

S

G

G

S

R

V

I

A

S

K

R

F

L

D

S

A

A

T

E

A

K

A

A

G

L

K

Q

M

A

P

D

G

G

F

V

I

L

K

A

A

V

F

Y

A

T

-

H

-

L

-

N

-

P

-

L

-

K

-

I

-

N

-

K

-

P

-

T

-

A

-

I

-

A

-

D

-

G

-

A

-

Q

-

S

-

T

-

Y

-

T

-

P

-

I

-

Q

-

D

V

V

A

I

P

I

Y

H

N

N

G

G

G

Q

T

N

G

I

G

G

V

I

A

-

V

V

I

I

A

A

D

E

N

T

P

F

F

E

R

Q

A

A

M

T

N

W

A

A

V

A

A

S

A

L

V

V

D

E

V

I

T

E

W

Y

H

E

D

T

G

T

P

P

A

A

A

R

K

V

L

F

S

A

N

T

A

D

D

E

A

G

D

V

R

E

R

A

L

K

A

P

Q

M

A

S

L

A

D

Q

D

D

N

I

D

D

G

-

H

-

A

-

Y

-

H

-

L

L

G

G

D

D

V

A

D

A

A

T

A

A

L

M

T

H

R

S

A

A

A

E

R

V

T

R

V

I

S

N

A

Q

E

R

Y

Y

R

T

A

T

P

P

Y

R

L

E

A

Y

H

N

G

M

A

P

V

M

E

E

P

P

L

H

N

A

C

C

T

I

V

A

Q

H

V

W

A

H

D

E

G

G

A

Q

A

I

T

T

V

V

W

W

V

E

S

P

T

S

Q
|
Q

M

W

P

V

G

A

L

G

A

A

R

Q

H

V

H

E

V

I

A

A

K

E

V

W

L

L

D

G

L

I

D

E

A

T

D

E

K

K

V

V

D

R

V

I

Q

I

T

S

F

P

L

Y

L

V

G

G

G
|
G

A
x
G

F
|
F

G

G

R

S

R

K

L
x
P

E

V

L

P

D

Y

F

T

I

H

A

V

Q

A

A

L

A

A

A

S

I

V

A

A

R

S

E

R

G

A

G

L

G

N

R

R

P

P

V

V

Q

K

T

V

L

S

W

L

S

T

R

R

A

P

Q

Q

D

T

F

F

T

T

H

G

D

L

F

G

Y

G

R

R

P

P

A

A

C

T

L

S

S

Q

R

Q

L

L

K

E

A

L

G

G

F

A

D

S

N

R

D

D

G

G

K

K

L

I

V

E

A

A

W

I

Q

I

A

Q

A

R

S

S

A

F

S

S

Q

E

A

T

I

S

V

L

P

I

E

D

A

V

L

F

A
|
A

R

E

Y

-

G

-

A

-

P

-

R

-

L

-

P

-

I

-

D

-

K

-

T

-

T

N

C

C

E

S

G

K

A
x
V

F

T

D

A

Q

R

P

M

Y

Y

E

A

W

V

P

S

A

N

A

V

R

S

V

A

A

Q

H

H

K

Q

I

V

V

R

E

L

L

I

-

N

P

T

V

V

P

T

V

P

G

G

F

W

W

M

R
|
R

S

A

V

P

G

G

H

E

S

N

H

P

Q

S

A

A

F

F

F

G

T

L

E

E

G

V

F

A

T

M

D

D

E

E

L

L

A

A

V

Y

A

A

T

L

G

D

K

I

D

D

P

P

I

L

A

E

F

L

R

R

active site: Q204 (= Q399), P239 (≠ L434), A310 (= A505), V316 (≠ A523), R344 (= R550)
binding pterin cytosine dinucleotide: G233 (= G428), G234 (≠ A429), F235 (= F430)

Sites not aligning to the query:

active site: 715, 716
binding pterin cytosine dinucleotide: 461, 462, 463, 464, 468, 500, 502, 503, 504, 505, 638, 640, 641, 648, 711, 713, 714, 715

8emtB Cryo-em analysis of the human aldehyde oxidase from liver (see paper)
26% identity, 47% coverage: 224:580/756 of query aligns to 488:836/1221 of 8emtB

query
sites
8emtB

I

I

G

G

K

H

P

P

L

I

R

M

R

H

I

L

E

S

A

G

A

V

S

K

K

H

I

A

N

T

G

G

T

E

A

A

R

I

F

Y

G

C

I

D

D

D

V

M

-

P

L

L

P

V

D

D

G

Q

L

E

L

L

Y

F

A

L

S

T

V

F

E

V

M

T

C

S

P

S

T

R

L

A

G

H

G

A

S

K

V

I

A

V

K

S

F

I

D

D

A

L

T

S

A

E

A

A

G

L

K

S

M

M

P

P

G

G

F

V

I

V

-

D

-

I

-

M

-

T

-

A

-

E

-

H

-

F

-

L

-

A

-

T

-

D

K

K

A

V

F

F

A

C

V

V

A

-

P

-

Y

-

N

-

G

-

G

G

T

Q

G

L

G

V

V

C

A

A

V

V

I

L

A

A

D

D

N

S

P

E

F

V

R

Q

A

A

M

K

N

R

A

A

V

A

A

K

A

R

V

V

D

K

V

I

T

V

W

Y

H

Q

D

D

G

L

P

E

A

P

A

L

K

I

L

L

S

T

N

I

A

E

D

E

A

S

D

P

R

E

R

R

L

K

A

L

Q

E

A

-

L

-

D

-

N

-

D

-

G

-

H

-

A

-

Y

-

H

-

L

Y

G

G

D

N

V

V

D

D

A

E

A

A

L

F

T

K

R

V

A

V

A

D

R

Q

T

I

V

L

S

E

A

G

E

E

Y

I

R

H

A

M

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V

M

E

E

P

T

L

Q

N

S

C

M

T

L

V

V

-

V

-

P

Q

K

V

G

A

E

D

D

G

Q

A

E

A

M

T

D

V

V

W

Y

V

V

S

S

T

T

Q

Q

M

F

P

P

G

K

L

Y

A

I

R

Q

H

D

H

I

V

V

A

A

K

S

V

T

L

L

D

K

L

L

D

P

A

A

D

N

K

K

V

V

D

M

V

C

Q

H

T

V

F

R

L

R

L

V

G

G

A

A

F

F

G

G

-

G

R

K

R

V

L

L

E

K

L

T

D

G

F

I

I

I

A

A

Q

A

A

V

A

T

A

A

I

F

A

A

R

A

E

N

G

K

G

H

G

G

R

R

P

A

V

V

Q

R

T

C

L

V

W

L

S

E

R

R

A

G

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R

R

P

H

A

P

C

Y

L

L

S

G

R

K

L

Y

K

K

A

A

G

G

F

F

D

M

N

N

D

D

G

G

K

R

L

I

V

L

A

A

W

L

Q

D

A

M

A

E

S

H

A

Y

S

S

Q

N

A

A

-

G

-

A

-

S

-

L

-

D

-

E

-

S

-

L

-

F

I

V

V

I

P

E

E

M

A

G

L

L

A

L

R

K

Y

M

Y

D

G

N

A

A

P

Y

R

K

L

F

P

P

I

-

D

-

K

N

T

L

T

R

C

C

E

R

G

G

A

-

F

-

D

-

Q

-

P

-

Y

-

E

-

W

W

P

-

A

A

A

C

R

R

V

-

A

-

H

-

K

-

I

-

V

T

E

N

L

L

P

P

V

S

P

N

V

T

G

A

F

F

W

-

R

R

S

G

V

F

G

G

H

F

S

P

H

Q

Q

A

A

A

F

L

F

I

T

T

E

E

G

S

F

C

T

I

D

T

E

E

L

V

A

A

V

A

A

K

T

C

G

G

K

L

D

S

P

P

I

E

A

K

F

V

R

R

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 210, 211, 213, 214, 216, 217, 218, 291, 292, 300, 304, 305, 307, 314
binding fe2/s2 (inorganic) cluster: 38, 39, 40, 42, 44, 45, 47, 69, 109, 112, 144, 146

Q8GUQ8 Xanthine dehydrogenase 1; AtXDH1; EC 1.17.1.4 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
24% identity, 50% coverage: 201:576/756 of query aligns to 570:967/1361 of Q8GUQ8

query
sites
Q8GUQ8

S

S

S

H

M

M

A

S

A

A

Q

V

Q

Q

A

P

L

V

P

P

R

R

-

L

-

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R

V

I

T

G

L

K

K

Q

D

D

P

Y

A

E

N

T

F

V

K

K

L

Q

-

G

-

T

-

S

I

V

G

G

K

S

P

S

L

E

R

V

R

H

I

L

E

S

A

A

A

R

S

M

K

Q

I

V

N

T

G

G

T

E

A

A

R

E

F

Y

G

T

I

D

D

D

V

T

-

P

L

V

P

P

D

P

G

N

L

T

L

L

Y

H

A

A

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A

V

F

E

V

M

L

C

S

P

K

T

V

L

P

G

H

G

A

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V

I

A

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K

S

F

I

D

D

A

D

T

S

A

A

G

K

K

S

M

S

P

S

G

G

F

F

I

V

K

G

A

L

F

F

A

L

-

A

-

K

-

D

-

I

-

P

-

G

-

D

-

N

-

M

-

I

-

G

-

P

-

I

-

V

-

P

-

D

-

E

-

L

-

F

-

A

-

T

-

D

V

V

A

V

P

T

Y

C

N

V

G

G

G

Q

T

V

G

I

G

G

V

V

A

-

V

V

I

V

A

A

D

D

N

T

P

H

F

E

R

N

A

A

M

K

N

T

A

A

V

A

A

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A

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D

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Y

H

E

D

E

G

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P

A

A

-

I

-

L

-

S

-

I

-

K

-

E

-

A

-

I

-

N

A

A

K

K

L

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S

F

N

H

A

P

D

N

A

T

D

E

R

K

R

R

L

L

A

R

Q

K

A

-

L

-

D

-

N

-

D

-

G

-

H

-

A

-

Y

-

H

-

L

-

G

G

D

D

V

V

D

E

A

L

A

C

L

F

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Q

-

S

-

G

R

Q

A

C

A

D

R

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V

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E

A

G

E

E

Y

V

R

Q

A

M

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V

L

E

E

P

P

L

N

N

G

C

S

T

L

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W

V

T

A

V

D

D

G

G

A

G

A

S

T

E

V

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W

H

V

M

-

I

-

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S

S

T

T

Q

Q

M

A

P

P

G

Q

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K

A

H

R

Q

H

K

H

Y

V

V

A

S

K

H

V

V

L

L

D

G

L

L

D

P

A

M

D

S

K

K

V

V

D

V

V

C

Q

K

T

T

F

K

L

R

L

I

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

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D

A

F

F

I

I

A

A

Q

A

A

A

A

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A

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G

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L

I

W

L

S

D

R

R

A

D

Q

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D

D

F

M

T

M

H

I

D

T

F

G

Y

H

R

R

P

H

A

S

C

F

L

L

S

G

R

K

L

Y

K

K

A

V

G

G

F

F

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N

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G

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I

V

L

A

A

W

L

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D

A

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A

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A

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S

N

Q

N

A

-

I

-

V

-

P

-

E

-

A

-

L

-

A

-

R

-

Y

-

G

G

A

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L

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I

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S

K

L

T

S

T

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C

L

E

E

G
x
R

A

A

F

M

-

F

-

H

-

S

D

D

Q

N

P

V

Y

Y

E

E

W

I

P

P

A

H

A

V

R

R

V

I

A

V

H

G

K

N

I

V

V

C

E

F

L

T

P

N

V

F

P

P

V

S

G

N

F

T

-

A

W

F

R

R

S

G

V

F

G

G

H

G

S

P

H

Q

Q

G

A

M

F

L

F

I

T

T

E

E

G

N

F

W

T

I

D

Q

E

R

L

I

A

A

V

A

A

E

T

L

G

N

K

K

D

S

P

P

E831 (≠ R433) mutation to A: Loss of activity.
R909 (≠ G522) mutation to A: Decreases activity 12-fold.

Sites not aligning to the query:

364 W→A: Decreases activity 8-fold.
421 Y→A: Decreases activity 4-fold.
1297 E→A: Decreases activity 40-fold.

5g5gC Escherichia coli periplasmic aldehyde oxidase (see paper)
26% identity, 48% coverage: 221:580/756 of query aligns to 15:380/731 of 5g5gC

query
sites
5g5gC

F

L

K

K

L

V

I

V

G

G

K

R

P

P

L

H

R

D

R

R

I

I

E

D

A

G

A

P

S

L

K

K

I

T

N

T

G

G

T

T

A

A

R

R

F

Y

G

A

I

Y

D

E

V

W

L

H

P

E

D

E

-

A

-

P

G

N

L

A

Y

Y

A

G

S

Y

V

I

E

V

M

G

C

S

P

A

T

I

L

A

G

K

G

G

S

R

V

L

A

T

K

A

F

L

D

D

A

T

T

D

A

A

G

Q

K

K

M

A

P

P

G

G

F

V

I

L

K

A

A

V

F

I

A

T

V

A

A

S

P

-

Y

-

N

N

G

A

G

G

T

V

G

L

G

G

-

K

-

G

-

D

-

K

-

N

-

T

-

A

-

R

-

L

-

G

-

P

-

T

-

I

-

E

-

H

-

Y

-

H

-

Q

-

A

V

I

A

A

V

L

I

V

A

V

D

A

N

E

P

T

F

F

R

E

A

Q

M

A

N

R

A

A

V

A

A

A

A

S

V

L

D

V

V

Q

T

A

W

H

H

Y

D

R

G

R

P

N

A

K

A

G

K

A

L

Y

S

S

N

L

A

A

D

D

A

E

D

K

R

Q

R

A

L

V

A

N

Q

Q

A

P

L

P

D

E

D

D

N

T

D

P

G

D

H

K

A

-

Y

-

H

N

L

V

G

G

D

D

V

F

D

D

A

G

A

A

L

F

T

T

R

S

A

A

R

V

T

K

V

I

S

D

A

A

E

T

Y

Y

R

T

A

T

P

P

Y

D

L

Q

A

S

H

H

G

M

A

A

V

M

E

E

P

P

L

-

N

H

C

A

T

S

V

M

Q

A

V

V

A

W

D

D

G

G

A

N

A

K

-

L

T

T

V

L

W

W

V

T

S

S

T

N

Q
|
Q

M

M

P

I

G

D

L

W

A

C

R

R

H

T

H

D

V

L

A

A

K

K

V

T

L

L

D

K

L

V

D

P

A

V

D

E

K

N

V

V

D

R

V

I

Q

I

T

S

F

P

L

Y

L

I

G

G

G
|
G

A
x
G

F
|
F

G

G

R

G

R

K

L
|
L

E

F

L

L

D

R

F

S

I

D

A

A

Q

L

A

L

A

A

I

L

A

A

R

A

E

R

G

A

G

V

G

K

R

R

P

P

V

V

Q

K

T

V

L

M

W

L

S

P

R

R

A

P

Q

S

D

I

F

P

T

N

H

N

D

T

F

T

Y

H

R

R

P

P

A

A

C

T

L

L

S

Q

R

H

L

L

K

R

A

I

G

G

F

A

D

D

N

Q

D

S

G

G

K

K

L

I

V

T

A

A

W

I

Q

S

A

H

A

E

S

S

A

W

S

S

Q

G

A

N

I

L

V

P

P

G

E

-

A

-

L

-

A

-

R

-

Y

-

G

G

A

T

P
|
P

R

E

L

T

P

A

I

V

D

Q

K
x
Q

T

S

T

-

C

-

E

-

G

-

A

-

F

-

D

E

Q

L

P

L

Y

Y

E

A

W

G

P

A

A

N

A

R

R

H

V

T

A

G

H

L

K

R

I

L

V

A

E

T

L

L

P

D

V

L

P

P

V

E

G

G

F

N

-

A

W

M

R
|
R

S

A

V

P

G

G

H

E

S

A

H

P

Q

G

A

L

F

M

F

A

T

L

E

E

G

I

F

A

T

I

D

D

E

E

L

L

A

A

V

E

A

K

T

A

G

G

K

I

D

D

P

P

I

V

A

E

F

F

R

R

active site: Q211 (= Q399), L246 (= L434), P316 (= P511), Q322 (≠ K517), R350 (= R550)
binding pterin cytosine dinucleotide: G240 (= G428), G241 (≠ A429), F242 (= F430), R350 (= R550)

Sites not aligning to the query:

active site: 692, 693
binding pterin cytosine dinucleotide: 468, 469, 470, 507, 509, 511, 512, 617, 618, 621, 625, 688, 690, 691, 692

4uhxA Human aldehyde oxidase in complex with phthalazine and thioridazine (see paper)
26% identity, 47% coverage: 224:580/756 of query aligns to 545:905/1290 of 4uhxA

query
sites
4uhxA

I

I

G

G

K

H

P

P

L

I

R

M

R

H

I

L

E

S

A

G

A

V

S

K

K

H

I

A

N

T

G

G

T

E

A

A

R

I

F

Y

G

C

I

D

D

D

V

M

-

P

L

L

P

V

D

D

G

Q

L

E

L

L

Y

F

A

L

S

T

V

F

E

V

M

T

C

S

P

S

T

R

L

A

G

H

G

A

S

K

V

I

A

V

K

S

F

I

D

D

A

L

T

S

A

E

A

A

G

L

K

S

M

M

P

P

G

G

-

V

-

D

-

I

-

M

-

T

-

A

-

E

-

H

-

L

-

S

-

D

-

V

-

N

-

S

F

F

I

C

K

K

A

F

F

L

A

A

V

T

A

D

P

K

-

V

Y

F

N

C

G

V

G

G

T

Q

G

L

G

V

V

C

A

A

V

V

I

L

A

A

D

D

N

S

P

E

F

V

R

Q

A

A

M

K

N

R

A

A

V

A

A

K

A

R

V

V

D

K

V

I

T

V

W

Y

H

Q

D

D

G

L

P

E

A

P

A

L

K

I

L

L

S

T

N

-

A

-

D

-

A

-

D

-

R

-

L

I

A

E

Q

E

A

S

L

I

D

Q

D

S

N

F

D

K

G

P

H

E

A

R

Y

K

Y

L

H

E

L

Y

G

G

D

N

V

V

D

D

A

E

A

A

L

F

T

K

R

V

A

V

A

D

R

Q

T

I

V

L

S

E

A

G

E

E

Y

I

R

H

A

M

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V

M

E

E

P

T

L

Q

N

S

C

M

T

L

V

V

-

V

-

P

Q

K

V

G

A

E

D

D

G

Q

A

E

A

M

T

D

V

V

W

Y

V

V

S

S

T

T

Q
|
Q

M

F

P

P

G

K

L

Y

A

I

R

Q

H

D

H

I

V

V

A

A

K

S

V

T

L

L

D

K

L

L

D

P

A

A

D

N

K

K

V

V

D

M

V

C

Q

H

T

V

F

R

L

R

L

V

G

G

A

A

F

F

G

G

-

G

R

K

R
x
V

L

L

E

K

L

T

D

G

F

I

I

I

A

A

Q

A

A

V

A

T

A

A

I

F

A

A

R

A

E

N

G

K

G

H

G

G

R

R

P

A

V

V

Q

R

T

C

L

V

W

L

S

E

R

R

A

G

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R

R

P

H

A

P

C

Y

L

L

S

G

R

K

L

Y

K

K

A

A

G

G

F

F

D

M

N

N

D

D

G

G

K

R

L

I

V

L

A

A

W

L

Q

D

-

M

-

E

-

H

-

Y

-

S

-

N

-

A

A

G

A

A

S

S

A

L

S

S

Q

L

A

F

I

V

V

I

P

E

E
x
M

A

G

L

L

A

L

R
x
K

Y

M

Y

D

G

N

A

A

P

Y

R

K

L

F

P

P

I

-

D

-

K

N

T

L

T

R

C

C

E

R

G

G

A

-

F

-

D

-

Q

-

P

-

Y

-

E

-

W

W

P

-

A

A

A

C

R

R

V

-

A

-

H

-

K

-

I

-

V

T

E

N

L

L

P

P

V

S

P

N

V

T

G

A

F

F

W

-

R
|
R

S

G

V

F

G

G

H

F

S

P

H

Q

Q

A

A

A

F

L

F

I

T

T

E

E

G

S

F

C

T

I

D

T

E

E

L

V

A

A

V

A

A

K

T

C

G

G

K

L

D

S

P

P

I

E

A

K

F

V

R

R

active site: Q732 (= Q399), V767 (≠ R433), M843 (≠ E502), K847 (≠ R506), R875 (= R550)

Sites not aligning to the query:

active site: 1223, 1224
binding flavin-adenine dinucleotide: 43, 44, 229, 230, 231, 232, 233, 234, 235, 236, 237, 310, 311, 319, 320, 323, 324, 326, 329, 332, 333, 377, 404
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 69, 71, 111, 112, 114, 146, 148
binding 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine: 540, 542, 543, 1014, 1015, 1018, 1019, 1020, 1079
binding 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine: 540, 542, 543, 1014, 1015, 1018, 1019, 1020

P77489 Aldehyde oxidoreductase molybdenum-binding subunit PaoC; EC 1.2.99.6 from Escherichia coli (strain K12) (see 2 papers)
26% identity, 48% coverage: 221:580/756 of query aligns to 15:380/732 of P77489

query
sites
P77489

F

L

K

K

L

V

I

V

G

G

K

R

P

P

L

H

R

D

R

R

I

I

E

D

A

G

A

P

S

L

K

K

I

T

N

T

G

G

T

T

A

A

R

R

F

Y

G

A

I

Y

D

E

V

W

L

H

P

E

D

E

-

A

-

P

G

N

L

A

Y

Y

A

G

S

Y

V

I

E

V

M

G

C

S

P

A

T

I

L

A

G

K

G

G

S

R

V

L

A

T

K

A

F

L

D

D

A

T

T

D

A

A

G

Q

K

K

M

A

P

P

G

G

F

V

I

L

K

A

A

V

F

I

A

T

V

A

A

S

P

-

Y

-

N

N

G

A

G

G

T

A

G

L

G

G

-

K

-

G

-

D

-

K

-

N

-

T

-

A

-

R

-

L

-

G

-

P

-

T

-

I

-

E

-

H

-

Y

-

H

-

Q

-

A

V

I

A

A

V

L

I

V

A

V

D

A

N

E

P

T

F

F

R

E

A

Q

M

A

N

R

A

A

V

A

A

A

A

S

V

L

D

V

V

Q

T

A

W

H

H

Y

D

R

G

R

P

N

A

K

A

G

K

A

L

Y

S

S

N

L

A

A

D

D

A

E

D

K

R

Q

R

A

L

V

A

N

Q

Q

A

P

L

P

D

E

D

D

N

T

D

P

G

D

H

K

A

-

Y

-

H

N

L

V

G

G

D

D

V

F

D

D

A

G

A

A

L

F

T

T

R

S

A

A

R

V

T

K

V

I

S

D

A

A

E

T

Y

Y

R

T

A

T

P

P

Y

D

L

Q

A

S

H

H

G

M

A

A

V

M

E

E

P

P

L

-

N

H

C

A

T

S

V

M

Q

A

V

V

A

W

D

D

G

G

A

N

A

K

-

L

T

T

V

L

W

W

V

T

S

S

T

N

Q

Q

M

M

P

I

G

D

L

W

A

C

R

R

H

T

H

D

V

L

A

A

K

K

V

T

L

L

D

K

L

V

D

P

A

V

D

E

K

N

V

V

D

R

V

I

Q

I

T

S

F

P

L

Y

L

I

G

G

A
x
G

F
|
F

G

G

R

G

R

K

L

L

E

F

L

L

D

R

F

S

I

D

A

A

Q

L

A

L

A

A

I

L

A

A

R

A

E

R

G

A

G

V

G

K

R

R

P

P

V

V

Q

K

T

V

L

M

W

L

S

P

R

R

A

P

Q

S

D

I

F

P

T

N

H

N

D

T

F

T

Y

H

R

R

P

P

A

A

C

T

L

L

S

Q

R

H

L

L

K

R

A

I

G

G

F

A

D

D

N

Q

D

S

G

G

K

K

L

I

V

T

A

A

W

I

Q

S

A

H

A

E

S

S

A

W

S

S

Q

G

A

N

I

L

V

P

P

G

E

-

A

-

L

-

A

-

R

-

Y

-

G

G

A

T

P

P

R

E

L

T

P

A

I

V

D

Q

K

Q

T

S

T

-

C

-

E

-

G

-

A

-

F

-

D

E

Q

L

P

L

Y

Y

E

A

W

G

P

A

A

N

A

R

R

H

V

T

A

G

H

L

K

R

I

L

V

A

E

T

L

L

P

D

V

L

P

P

V

E

G

G

F

N

-

A

W

M

R

R

S

A

V

P

G

G

H

E

S

A

H

P

Q

G

A

L

F

M

F

A

T

L

E

E

G

I

F

A

T

I

D

D

E

E

L

L

A

A

V

E

A

K

T

A

G

G

K

I

D

D

P

P

I

V

A

E

F

F

R

R

GF 241:242 (≠ AF 429:430) binding

Sites not aligning to the query:

440 mutation R->H,K: Decrease in catalytic efficiency.
468:470 binding
511:512 binding
615:621 binding
625 binding
688:691 binding
692 E→Q: Loss of activity.

8emtA Cryo-em analysis of the human aldehyde oxidase from liver (see paper)
24% identity, 53% coverage: 182:580/756 of query aligns to 459:869/1254 of 8emtA

query
sites
8emtA

A

A

E

P

G

G

Q

K

V

V

L

E

H

F

P

K

S

R

G

T

H

L

K

I

A

I

S

S

F

F

G

L

E

F

L

K

S

F

S

Y

M

L

A

E

A

V

Q

S

Q

Q

A

I

L

L

P

K

R

K

K

M

V

D

T

P

L

V

K

H

D

Y

P

P

A

S

-

L

-

A

-

D

N

K

F

Y

K

E

L

S

I

I

G

G

K

H

P

P

L

I

R

M

R

H

I

L

E

S

A

G

A

V

S

K

K

H

I

A

N

T

G

G

T

E

A

A

R

I

F

Y

G

C

I

D

D

D

V

M

-

P

L

L

P

V

D

D

G

Q

L

E

L

L

Y

F

A

L

S

T

V

F

E

V

M

T

C

S

P

S

T

R

L

A

G

H

G

A

S

K

V

I

A

V

K

S

F

I

D

D

A

L

T

S

A

E

A

A

G

L

K

S

M

M

P

P

G

G

F

V

I

V

-

D

-

I

-

M

-

T

-

A

-

E

-

H

-

L

-

S

-

D

-

V

K

N

A

S

F

F

A

C

V

E

A

A

P

E

Y

K

N

F

G

L

G

A

T

T

G

D

G

K

V

V

-

F

-

C

-

V

-

G

-

Q

-

L

-

V

-

C

A

A

V

V

I

L

A

A

D

D

N

S

P

E

F

V

R

Q

A

A

M

K

N

R

A

A

V

A

A

K

A

R

V

V

D

K

V

I

T

V

W

Y

H

Q

D

D

G

L

P

E

A

P

A

L

K

I

L

L

S

T

N

-

A

-

D

-

A

-

D

-

R

-

L

I

A

E

Q

E

A

S

L

I

D

Q

D

S

N

F

D

K

G

P

H

E

A

R

Y

K

Y

L

H

E

L

Y

G

G

D

N

V

V

D

D

A

E

A

A

L

F

T

K

R

V

A

V

A

D

R

Q

T

I

V

L

S

E

A

G

E

E

Y

I

R

H

A

M

P

G

Y

G

L

Q

A

E

H

H

G

F

A

Y

V

M

E

E

P

T

L

Q

N

S

C

M

T

L

V

V

-

V

-

P

Q

K

V

G

A

E

D

D

G

Q

A

E

A

M

T

D

V

V

W

Y

V

V

S

S

T

T

Q

Q

M

F

P

P

G

K

L

Y

A

I

R

Q

H

D

H

I

V

V

A

A

K

S

V

T

L

L

D

K

L

L

D

P

A

A

D

N

K

K

V

V

D

M

V

C

Q

H

T

V

F

R

L

R

L

V

G

G

A

A

F

F

G

G

-

G

R

K

R

V

L

L

E

K

L

T

D

G

F

I

I

I

A

A

Q

A

A

V

A

T

A

A

I

F

A

A

R

A

E

N

G

K

G

H

G

G

R

R

P

A

V

V

Q

R

T

C

L

V

W

L

S

E

R

R

A

G

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R

R

P

H

A

P

C

Y

L

L

S

G

R

K

L

Y

K

K

A

A

G

G

F

F

D

M

N

N

D

D

G

G

K

R

L

I

V

L

A

A

W

L

Q

D

A

M

A

E

S

H

A

Y

S

S

Q

N

A

A

-

G

-

A

-

S

-

L

-

D

-

E

-

S

-

L

-

F

I

V

V

I

P

E

E

M

A

G

L

L

A

L

R

K

Y

M

Y

D

G

N

A

A

P

Y

R

K

L

F

P

P

I

-

D

-

K

N

T

L

T

R

C

C

E

R

G

G

A

-

F

-

D

-

Q

-

P

-

Y

-

E

-

W

W

P

-

A

A

A

C

R

R

V

-

A

-

H

-

K

-

I

-

V

T

E

N

L

L

P

P

V

S

P

N

V

T

G

A

F

F

W

-

R

R

S

G

V

F

G

G

H

F

S

P

H

Q

Q

A

A

A

F

L

F

I

T

T

E

E

G

S

F

C

T

I

D

T

E

E

L

V

A

A

V

A

A

K

T

C

G

G

K

L

D

S

P

P

I

E

A

K

F

V

R

R

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 215, 216, 217, 218, 219, 221, 222, 223, 296, 297, 306, 309, 310, 312, 319
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 45, 46, 49, 69, 71, 111, 112, 114, 146, 148

3amzA Bovine xanthine oxidoreductase urate bound form (see paper)
24% identity, 46% coverage: 224:573/756 of query aligns to 537:899/1291 of 3amzA

query
sites
3amzA

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

S

M

K

Q

I

A

N

S

G

G

T

E

A

A

R

V

F

Y

G

C

I

D

D

D

V

I

-

P

L

R

P

Y

D

E

G

N

L

E

L

L

Y

F

A

L

S

R

V

L

E

V

M

T

C

S

P

T

T

R

L

A

G

H

G

A

S

K

V

I

A

K

K

S

F

I

D

D

A

V

T

S

A

E

A

A

G

Q

K

K

M

V

P

P

G

G

F

F

I

V

K

C

A

F

F

L

A

S

V

A

-

D

A

I

P

P

Y

G

N

S

G

N

G

E

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

T

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

R

H

A

A

M

E

N

R

A

A

V

A

A

H

A

V

V

V

D

K

V

V

T

T

W

Y

H

E

D

D

G

L

P

P

A

A

A

I

K

I

L

-

S

-

N

-

A

-

D

-

A

-

D

-

R

-

R

T

L

I

A

E

Q

D

A

A

L

I

D

K

D

N

N

N

D

S

G

F

H

Y

A

G

-

S

-

E

-

L

Y

K

Y

I

H

E

L

K

G

G

D

D

V

L

D

K

A

K

A

G

L

F

T

S

R

E

A

A

A

D

R

N

T

V

V

V

S

S

A

G

E

E

Y

L

R

Y

A

I

P

G

Y

G

L

Q

A

D

H

H

G

F

A

Y

V
x
L

E

E

P

-

L

T

N

H

C

C

T

T

V

I

Q

A

V

I

-

P

-

K

-

G

A

E

D

E

G

G

A

E

A

M

T

E

V

L

W

F

V

V

S

S

T

T

Q
|
Q

M

N

P

A

G

M

L

K

A

T

R

Q

H

S

H

F

V

V

A

A

K

K

V

M

L

L

D

G

L

V

D

P

A

V

D

N

K

R

V

I

D

L

V

V

Q

R

T

V

F

K

L

R

L

M

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

S

D

T

F

L

I

V

A

S

Q

V

A

A

A

V

A

A

I

L

A

A

R

A

E

Y

G

K

G

T

G

G

R

H

P

P

V

V

Q

R

T

C

L

M

W

L

S

D

R

R

A

N

Q

E

D

D

F

M

T

L

H

I

D

T

F

G

Y

G

R
|
R

P
x
H

A

P

C

F

L

L

S

A

R

R

L

Y

K

K

A

V

G

G

F

F

D

M

N

K

D

T

G

G

K

T

L

I

V

V

A

A

W

L

Q

E

A

V

A

D

S

H

A

Y

S

S

Q

N

A
|
A

I

-

V

-

P

-

E

-

A

-

L

-

A

-

R

-

Y

-

G

G

A

N

P
x
S

R
|
R

L

-

P

D

I

L

D
x
S

K

H

T

S

T

I

C

M

E

E

G
x
R

A

A

F

L

-

F

-
x
H

-

M

D

D

Q

N

P

C

Y

Y

E

K

W

I

P

P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

L

V

C

E

K

L

T

P

N

V

L

P

S

V
x
S

G
x
N

F
x
T

-
x
A

W

F

R
|
R

S

G

V
x
F

G
|
G

H

G

S

P

H
x
Q

Q

A

A

L

F

F

F

I

T

A

E

E

G

N

F

W

T

M

D

S

E

E

L

V

A

A

V

V

A

T

T

C

G

G

active site: Q731 (= Q399), E766 (≠ R433), R844 (≠ G522), H848 (vs. gap), R876 (= R550)
binding bicarbonate ion: R803 (= R470), H804 (≠ P471), T873 (≠ F548), A874 (vs. gap), F878 (≠ V552), G879 (= G553), Q882 (≠ H556)
binding calcium ion: A831 (= A498), S834 (≠ P511), R835 (= R512), S838 (≠ D516), S871 (≠ V546), N872 (≠ G547)
binding fe2/s2 (inorganic) cluster: L708 (≠ V378)
binding uric acid: E766 (≠ R433), R844 (≠ G522), F878 (≠ V552)

Sites not aligning to the query:

active site: 1224, 1225
binding flavin-adenine dinucleotide: 44, 229, 230, 231, 232, 233, 234, 235, 236, 309, 318, 319, 322, 323, 325, 326, 331, 332, 375, 376
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148
binding 1,4-dihydronicotinamide adenine dinucleotide: 328, 329, 330, 365, 366, 402, 403, 430, 432, 433, 473, 480, 1189
binding uric acid: 973, 974, 1043, 1225

1vdvA Bovine milk xanthine dehydrogenase y-700 bound form (see paper)
24% identity, 46% coverage: 224:573/756 of query aligns to 540:902/1299 of 1vdvA

query
sites
1vdvA

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

S

M

K

Q

I

A

N

S

G

G

T

E

A

A

R

V

F

Y

G

C

I

D

D

D

V

I

-

P

L

R

P

Y

D

E

G

N

L

E

L

L

Y

F

A

L

S

R

V

L

E

V

M

T

C

S

P

T

T

R

L

A

G

H

G

A

S

K

V

I

A

K

K

S

F

I

D

D

A

V

T

S

A

E

A

A

G

Q

K

K

M

V

P

P

G

G

F

F

I

V

K

C

A

F

F

L

A

S

V

A

-

D

A

I

P

P

Y

G

N

S

G

N

G

E

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

T

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

R

H

A

A

M

E

N

R

A

A

V

A

A

H

A

V

V

V

D

K

V

V

T

T

W

Y

H

E

D

D

G

L

P

P

A

A

A

I

K

I

L

-

S

-

N

-

A

-

D

-

A

-

D

-

R

-

R

T

L

I

A

E

Q

D

A

A

L

I

D

K

D

N

N

N

D

S

G

F

H

Y

A

G

-

S

-

E

-

L

Y

K

Y

I

H

E

L

K

G

G

D

D

V

L

D

K

A

K

A

G

L

F

T

S

R

E

A

A

A

D

R

N

T

V

V

V

S

S

A

G

E

E

Y

L

R

Y

A

I

P

G

Y

G

L

Q

A

D

H
|
H

G

F

A
x
Y

V
x
L

E

E

P

-

L

T

N

H

C

C

T

T

V

I

Q

A

V

I

-

P

-

K

-

G

A

E

D

E

G

G

A

E

A

M

T

E

V

L

W

F

V

V

S

S

T

T

Q
|
Q

M

N

P

A

G

M

L

K

A

T

R

Q

H

S

H

F

V

V

A

A

K

K

V

M

L

L

D

G

L

V

D

P

A

V

D

N

K

R

V

I

D

L

V

V

Q

R

T

V

F

K

L

R

L

M

G

G

A

G

F

F

G

G

-

G

R

K

R
x
E

L

T

E

R

L

S

D

T

F

L

I

V

A

S

Q

V

A

A

A

V

A

A

I

L

A

A

R

A

E

Y

G

K

G

T

G

G

R

H

P

P

V

V

Q

R

T

C

L

M

W

L

S

D

R

R

A

N

Q

E

D

D

F

M

T

L

H

I

D
x
T

F
x
G

Y

G

R

R

P

H

A

P

C

F

L

L

S

A

R

R

L

Y

K

K

A

V

G

G

F

F

D

M

N

K

D

T

G

G

K

T

L

I

V

V

A

A

W

L

Q

E

A

V

A

D

S

H

A

Y

S

S

Q

N

A
|
A

I

-

V

-

P

-

E

-

A

-

L

-

A

-

R

-

Y

-

G

G

A

N

P
x
S

R
|
R

L

-

P

D

I
x
L

D
x
S

K

H

T
x
S

T

I

C

M

E

E

G
x
R

A

A

F

L

-

F

-
x
H

-

M

D

D

Q

N

P

C

Y

Y

E

K

W

I

P

P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

L

V

C

E

K

L

T

P

N

V

L

P

S

V
x
S

G
x
N

F

T

-

A

W

F

R
|
R

S

G

V
x
F

G

G

H

G

S

P

H

Q

Q

A

A

L

F

F

F

I

T

A

E

E

G

N

F

W

T

M

D

S

E

E

L

V

A

A

V

V

A

T

T

C

G

G

active site: Q734 (= Q399), E769 (≠ R433), R847 (≠ G522), H851 (vs. gap), R879 (= R550)
binding calcium ion: H708 (= H375), Y710 (≠ A377), T803 (≠ D467), G804 (≠ F468), A834 (= A498), S837 (≠ P511), R838 (= R512), S841 (≠ D516), S874 (≠ V546), N875 (≠ G547)
binding fe2/s2 (inorganic) cluster: L711 (≠ V378)
binding 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid: E769 (≠ R433), L840 (≠ I515), S843 (≠ T518), R847 (≠ G522), F881 (≠ V552)

Sites not aligning to the query:

active site: 1227, 1228
binding flavin-adenine dinucleotide: 43, 44, 229, 230, 231, 232, 233, 234, 235, 236, 309, 310, 318, 319, 322, 323, 325, 326, 331, 332, 375, 376
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148
binding 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid: 976, 977, 978, 981, 1043, 1046

1v97A Crystal structure of bovine milk xanthine dehydrogenase fyx-051 bound form (see paper)
24% identity, 46% coverage: 224:573/756 of query aligns to 539:901/1298 of 1v97A

query
sites
1v97A

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

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S

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A

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-

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I

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A

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A

A

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P

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G

F

F

I

V

K

C

A

F

F

L

A

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A

-

D

A

I

P

P

Y

G

N

S

G

N

G

E

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

T

-

V

-

T

-

C

-

V

-

G

-

H

-

I

-

G

A

A

V

V

I

V

A

A

D

D

N

T

P

P

F

E

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H

A

A

M

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N

R

A

A

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A

A

H

A

V

V

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T

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Y

H

E

D

D

G

L

P

P

A

A

A

I

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I

L

-

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-

N

-

A

-

D

-

A

-

D

-

R

-

R

T

L

I

A

E

Q

D

A

A

L

I

D

K

D

N

N

N

D

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Y

A

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-

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-

E

-

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Y

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D

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A

K

A

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A

A

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E

Y

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Y

A

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x
L

E

E

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-

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C

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A

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I

-

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A

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Q

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A

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V

Q

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V

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A

G

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G

G

-

G

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x
E

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A

A

A

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V

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R

A

N

Q

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D

D

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G

F

F

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M

N

K

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A
|
A

I

-

V

-

P

-

E

-

A

-

L

-

A

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R

-

Y

-

G

G

A

N

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x
S

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|
R

L

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P

D

I
x
L

D
x
S

K

H

T

S

T

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C

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E

E

G
x
R

A

A

F

L

-

F

-
x
H

-

M

D

D

Q

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C

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Y

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P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

L

V

C

E

K

L

T

P

N

V

L

P

S

V
x
S

G
x
N

F

T

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A

W

F

R
|
R

S

G

V
x
F

G

G

H

G

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P

H

Q

Q

A

A

L

F

F

F

I

T

A

E

E

G

N

F

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A

A

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G

active site: Q733 (= Q399), E768 (≠ R433), R846 (≠ G522), H850 (vs. gap), R878 (= R550)
binding calcium ion: A833 (= A498), S836 (≠ P511), R837 (= R512), S840 (≠ D516), S873 (≠ V546), N874 (≠ G547)
binding fe2/s2 (inorganic) cluster: L710 (≠ V378)
binding 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile: E768 (≠ R433), L839 (≠ I515), R846 (≠ G522), F880 (≠ V552)

Sites not aligning to the query:

active site: 1226, 1227
binding flavin-adenine dinucleotide: 43, 44, 228, 229, 230, 231, 232, 233, 234, 235, 236, 309, 310, 318, 319, 322, 323, 325, 326, 331, 332, 375, 376
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148
binding 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile: 975, 980, 1042, 1044, 1045, 1227

1fo4A Crystal structure of xanthine dehydrogenase isolated from bovine milk (see paper)
24% identity, 46% coverage: 224:573/756 of query aligns to 540:902/1299 of 1fo4A

query
sites
1fo4A

I

V

G

G

K

R

P

P

L

L

R

P

R

H

I

L

E

A

A

A

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E

A

A

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V

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Y

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D

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Y

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L

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L

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M

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T

T

R

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A

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G

A

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I

A

K

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F

I

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D

A

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A

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A

A

G

Q

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K

M

V

P

P

G

G

F

F

I

V

K

C

A

F

F

L

A

S

V

A

-

D

A

I

P

P

Y

G

N

S

G

N

G

E

T

T

G

G

G

L

V

F

-

N

-

D

-

E

-

T

-

V

-

F

-

A

-

K

-

D

-

T

-

V

-

T

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C

-

V

-

G

-

H

-

I

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G

A

A

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V

I

V

A

A

D

D

N

T

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P

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A

A

M

E

N

R

A

A

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A

A

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A

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T

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Y

H

E

D

D

G

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P

A

A

A

I

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I

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S

-

N

-

A

-

D

-

A

-

D

-

R

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R

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I

A

E

Q

D

A

A

L

I

D

K

D

N

N

N

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Y

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Y

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Q

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A

A

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G

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G

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F

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G

-

G

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x
E

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F

L

I

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A

S

Q

V

A

A

A

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A

A

I

L

A

A

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A

E

Y

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K

G

T

G

G

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G

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G

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F

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A

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A

I

-

V

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E

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-

L

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A

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-

Y

-

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G

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x
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R

L

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D

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L

D
x
S

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S

T

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E

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x
R

A

A

F

L

-

F

-
x
H

-

M

D

D

Q

N

P

C

Y

Y

E

K

W

I

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P

A

N

A

I

R

R

V

G

A

T

H

G

K

R

I

L

V

C

E

K

L

T

P

N

V

L

P

S

V
x
S

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x
N

F

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-

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W

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R

S

G

V

F

G

G

H

G

S

P

H

Q

Q

A

A

L

F

F

F

I

T

A

E

E

G

N

F

W

T

M

D

S

E

E

L

V

A

A

V

V

A

T

T

C

G

G

active site: Q734 (= Q399), E769 (≠ R433), R847 (≠ G522), H851 (vs. gap), R879 (= R550)
binding calcium ion: A834 (= A498), S837 (≠ P511), R838 (= R512), S841 (≠ D516), S874 (≠ V546), N875 (≠ G547)
binding fe2/s2 (inorganic) cluster: L711 (≠ V378)

Sites not aligning to the query:

active site: 1227, 1228
binding flavin-adenine dinucleotide: 43, 44, 228, 229, 230, 231, 232, 233, 234, 235, 236, 309, 310, 318, 319, 322, 323, 325, 331, 332, 375, 376
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 147, 148

Query Sequence

>BPHYT_RS32805 FitnessBrowser__BFirm:BPHYT_RS32805
MLKRRTFLLGGAGAVGALVVGWSVLPPGQRLTTSMPLPAQGSQVALNGWVKIAADNSVTI
MMCKAEMGQGIHTGLAMLLAEELDADWSQVRVEDSPIDKIYNSVQSIIDDLPFRPDDDST
VKRTTVWMTRKLVREAGTMMTGGSSSINDLWTPMREAGASARAMLIGAAAAQWKVPPGEC
RAEGGQVLHPSGHKASFGELSSMAAQQALPRKVTLKDPANFKLIGKPLRRIEAASKINGT
ARFGIDVLPDGLLYASVEMCPTLGGSVAKFDATAAGKMPGFIKAFAVAPYNGGTGGVAVI
ADNPFRAMNAVAAVDVTWHDGPAAKLSNADADRRLAQALDDNDGHAYYHLGDVDAALTRA
ARTVSAEYRAPYLAHGAVEPLNCTVQVADGAATVWVSTQMPGLARHHVAKVLDLDADKVD
VQTFLLGGAFGRRLELDFIAQAAAIAREGGGRPVQTLWSRAQDFTHDFYRPACLSRLKAG
FDNDGKLVAWQAASASQAIVPEALARYYGAPRLPIDKTTCEGAFDQPYEWPAARVAHKIV
ELPVPVGFWRSVGHSHQAFFTEGFTDELAVATGKDPIAFRAALLEQHPRHLAVLKRAAAL
SDWEHPLTHAADGAPRARGVALHEAFGSVVAQVAEVSIGPGKKIRVHRVVCVIDCGIPVN
PNLIRQQMESAVVFGLSAALQDEITLVNGQVQQKNFLDFPVVRIDDCPVIDTDIMPSQLH
PQGVGEAGVPPVAPAVANAVFKLTGQRLRSLPLKLA

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