SitesBLAST

P19920 Carbon monoxide dehydrogenase medium chain; CO dehydrogenase subunit M; CO-DH M; EC 1.2.5.3 from Afipia carboxidovorans (strain ATCC 49405 / DSM 1227 / KCTC 32145 / OM5) (Oligotropha carboxidovorans) (see 2 papers)
30% identity, 96% coverage: 4:279/287 of query aligns to 6:279/288 of P19920

query
sites
P19920

F

F

E

D

Y

Y

Y

H

E

R

P

P

A

K

S

S

L

I

A

A

E

D

A

A

S

V

D

A

L

L

R

T

R

K

L

L

G

G

K

E

D

D

A

A

S

R

I

P

I

L

A
|
A

G
|
G

T
x
H

D
x
S

L

L

L

I

V

P

E

I

M

M

K

K

E

T

E

R

L

L

R

A

S

T

V

P

L

E

H

H

L

L

V

V

N

D

I

L

K

R

K

D

I

I

P

G

N

D

L

L

R

V

D

G

F

I

T

R

Y

-

D

E

P

E

A

G

A

T

G

D

L

V

R

V

F

I

G

G

A

A

L

M

V

T

T

T

V

Q

R

H

E

A

I

L

E

I

T

G

S

S

P

D

H

F

V

L

I

A

G

A

N

K

Y

L

P

P

N

I

L

I

A

R

K

E

A

T

V

S

S

L

L

L

L

I

G

A

S

D

V

P

Q

Q

V

I

R

R

N

Y

R

M

A

G

T
|
T

I
|
I

V
x
G

G
|
G

N
|
N

I

A

C

A

R

N

A

G

S

D

P

P

S

G

A

N

D

D

T

M

I

P

P

A

P

L

L

M

I

Q

A

C

D

L

G

G

A

A

S

A

L

Y

S

E

V

L

Y

T

N

G

G

P

G

E

T

G

E

A

R

R

T

I

I

V

L

A

E

R

D

D

F

Y

T

Q

G

G

P

A

G

Y

R

F

T

T

V

A

L

I

S

E

P

P

G

G

D

E

I

L

V

L

T

T

G

A

I

I

S

R

L

I

P

P

A

V

P

P

R

P

P

T

T

G

S

H

G

G

R

Y

A

A

Y

Y

I

E

K

K

H

L

G

-

R

K

R

R

K

K

A

I

M

G

E

D

L

Y

A

A

T

T

V

A

G

A

V

A

A

A

V

V

S

V

I

L

E

T

H

M

V

S

A

G

G

G

Q

K

C

C

S

V

D

T

I

A

R

S

I

I

A

G

L

L

G

T

A

N

V

V

A

A

P

N

T

T

V

P

I

L

R

W

A

A

R

E

T

A

E

G

D

K

L

V

I

L

R

V

G

G

R

T

R

A

I

L

D

D

A

K

A

P

L

A

L

L

A

D

E

K

A

A

A

V

E

A

S

L

A

A

M

E

Q

A

E

I

A

T

T

A

P

P

I

A

G

S

N

D

V

G

R

R

A

G

S

P

A

A

A

E

Y

Y

R

R

R

T

D

K

M

M

V

A

G

G

V

V

L

M

T

L

R

R

A

A

I

V

AGGHS 32:36 (≠ AGGTD 30:34) binding
TIGGN 111:115 (≠ TIVGN 110:114) binding

3hrdG Crystal structure of nicotinate dehydrogenase (see paper)
29% identity, 96% coverage: 1:276/287 of query aligns to 1:281/292 of 3hrdG

query
sites
3hrdG

M

M

K

K

P

D

F

F

E

E

Y

F

E

A

P

P

A

K

S

T

L

L

A

E

E

E

A

A

S

K

D

G

L

L

R

H

R

Q

L

Y

G

-

K

K

D

D

A

V

-

P

S

A

I
|
I

I

I

A
|
A

G
|
G

T
|
T

D
|
D

L

L

L

V

V

I

E

E

M

I

K

N

E

D

E

R

L

W

R

E

S

K

V

P

L

D

H

V

L

V

V

I

N

D

I

I

K

K

I

L

P

K

N

E

L

L

R

-

D

E

F

Y

T

I

Y

R

D

V

P

E

A

E

A

N

G

T

L

I

R

H

F

I

G

G

A

A

L

L

V

S

T

T

V
x
F

R

T

E

Q

I

I

E

E

T

N

S

H

P

P

H

F

V

I

I

R

G

S

N

H

Y

V

P

R

N

A

L

L

A

Y

K

K

A

A

V

A

S

S

L

Q

L
x
V

G
|
G

S

S

V

P

Q

Q

V
x
I

R

R

N

N

R

L

A

G

T
|
T

I

I

V

G

G
|
G

N
|
N

I

L

C
x
S

R
x
T

A

S

S

S

P

V

S

A

A
x
G

D
|
D

T

G

I

V

P

S

P

A

L

M

I

T

A

T

D

L

G

D

A

A

S

T

L

V

S

V

V

L

Y

E

N

S

G

V

G

R

T

G

E

T

R

R

T

Q

I

M

L

K

L

L

E

T

D

D

F

F

T

D

G

G

P

E

G

G

-

F

-

K

-

R

R

R

T

N

V

A

L

L

S

E

P

A

G

D

D

E

I
|
I

V
x
M

T

T

G

E

I

V

S

I

L

I

P

D

A

R

P

P

R

D

P

A

T

H

S

S

G

A

R

S

A

A

Y

F

I

Y

K

K

H

L

G

A

R

K

R

R

K

K

A

S

M

L

E

A

L

I

A

S

T

V

V

I

-

G

G

G

V

M

A

A

V

V

S

K

I

V

E

D

H

D

V

-

A

A

G

G

Q

V

C

C

S

T

D

W

I

A

R

S

I

M

A

R

L

G

G

G

A

C

V

I

A

G

P

R

T

Y

V

P

I

L

R

H

A

F

R

K

R

Q

T

A

E

E

D

E

L

M

I

L

R

V

G

G

R

-

I

-

D

-

A

A

A

P

L

L

L

T

A

M

E

E

A

T

A

M

E

E

S

A

A

T

M

L

-

P

-

I

-

L

-

H

Q

D

E

T

A

V

T

Y

P

D

I

M

G

A

N

R

V

A

R

R

A

P

S

S

A

V

A

L

Y

Y

R

K

D

E

M

S

V

V

-

Q

G

G

V

V

L

F

T

K

R

K

binding flavin-adenine dinucleotide: I29 (= I28), A31 (= A30), G32 (= G31), G33 (= G32), T34 (= T33), D35 (= D34), F77 (≠ V77), V100 (≠ L100), G101 (= G101), I105 (≠ V105), T110 (= T110), G113 (= G113), N114 (= N114), S116 (≠ C116), T117 (≠ R117), G122 (≠ A122), D123 (= D123), I168 (= I165), M169 (≠ V166)

Q0QLF4 Nicotinate dehydrogenase FAD-subunit; NDH; Nicotinic acid hydroxylase FAD-subunit; NAH; EC 1.17.1.5 from Eubacterium barkeri (Clostridium barkeri) (see paper)
29% identity, 96% coverage: 1:276/287 of query aligns to 1:281/296 of Q0QLF4

query
sites
Q0QLF4

M

M

K

K

P

D

F

F

E

E

Y

F

E

A

P

P

A

K

S

T

L

L

A

E

E

E

A

A

S

K

D

G

L

L

R

H

R

Q

L

Y

G

-

K

K

D

D

A

V

-

P

S

A

I
|
I

A
|
A

G
|
G

T
|
T

D
|
D

L
|
L

L

V

V

I

E

E

M

I

K

N

E

D

E

R

L

W

R

E

S

K

V

P

L

D

H

V

L

V

V

I

N

D

I

I

K

K

I

L

P

K

N

E

L

L

R

-

D

E

F

Y

T

I

Y

R

D

V

P

E

A

E

A

N

G

T

L

I

R

H

F

I

G

G

A

A

L

L

V

S

T

T

V

F

R

T

E

Q

I

I

E

E

T

N

S

H

P

P

H

F

V

I

I

R

G

S

N

H

Y

V

P

R

N

A

L

L

A

Y

K

K

A

A

V

A

S

S

L

Q

L

V

G
|
G

S

S

V

P

Q

Q

V

I

R

R

N

N

R

L

A

G

T
|
T

I
|
I

V
x
G

G
|
G

N
|
N

I

L

C

S

R

T

A

S

S

S

P

V

S

A

A

G

D
|
D

T

G

I

V

P

S

P

A

L

M

I

T

A

T

D

L

G

D

A

A

S

T

L

V

S

V

V

L

Y

E

N

S

G

V

G

R

T

G

E

T

R

R

T

Q

I

M

L

K

L

L

E

T

D

D

F

F

T

D

G

G

P

E

G

G

-

F

-

K

-

R

R
|
R

T

N

V

A

L

L

S

E

P

A

G

D

D

E

I

I

V
x
M

T

T

G

E

I

V

S

I

L

I

P

D

A

R

P

P

R

D

P

A

T

H

S

S

G

A

R

S

A

A

Y

F

I

Y

K
|
K

H

L

G

A

R

K

R

R

K

K

A

S

M

L

E

A

L

I

A

S

T

V

V

I

-

G

G

G

V

M

A

A

V

V

S

K

I

V

E

D

H

D

V

-

A

A

G

G

Q

V

C

C

S

T

D

W

I

A

R

S

I

M

A

R

L

G

G

G

A

C

V

I

A

G

P

R

T

Y

V

P

I

L

R

H

A

F

R

K

R

Q

T

A

E

E

D

E

L

M

I

L

R

V

G

G

R

-

I

-

D

-

A

A

A

P

L

L

L

T

A

M

E

E

A

T

A

M

E

E

S

A

A

T

M

L

-

P

-

I

-

L

-

H

Q

D

E

T

A

V

T

Y

P

D

I

M

G

A

N

R

V

A

R

R

A

P

S

S

A

V

A

L

Y

Y

R

K

D

E

M

S

V

V

-

Q

G

G

V

V

L

F

T

K

R

K

29:36 (vs. 28:35, 100% identical) binding
G101 (= G101) binding
TIGGN 110:114 (≠ TIVGN 110:114) binding
D123 (= D123) binding
R160 (= R157) binding
M169 (≠ V166) binding
K187 (= K184) binding

2w54A Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus in complex with bound inhibitor pterin-6-aldehyde (see paper)
32% identity, 94% coverage: 9:279/287 of query aligns to 167:435/450 of 2w54A

query
sites
2w54A

P

P

A

A

S

F

L

L

A

P

E

E

A

T

S

S

D

D

L

A

L

L

R

A

R

D

L

W

-

Y

-

L

-

A

G

H

K

P

D

E

A

A

S

T

I
x
L

I

I

A
|
A

G
|
G

T
|
T

D
|
D

L
x
V

L

S

V

L

E
x
W

M

V

K

T

E

K

E

A

L

L

R

R

S

D

V

L

L

P

H

E

L

V

V

A

N

F

I
x
L

K

S

K

H

I

C

P

K

N

D

L

L

R

A

D

Q

F

I

T

R

Y

E

D

T

P

P

A

D

A

-

G

G

L

Y

R

G

F

I

G

G

A

A

L

G

V

V

T

T

V

I

-

A

-

L

R

R

E

A

I

F

E

A

T

E

S

G

P

P

H

H

V

-

I

-

G

-

N

-

Y

-

P

P

N

A

L

L

A

A

K

G

A

L

V

L

S

R

L

R

L
x
F

G
x
A

S

S

V

E

Q

Q

V

V

R

R

N

Q

R

V

A
|
A

T
|
T

I

I

V

G

G
|
G

N
|
N

I

I

C
x
A

R
x
N

A

G

S

S

P

P

S

I

A
x
G

D
|
D

T

G

I

P

P

P

P

A

L

L

I

I

A

A

D

M

G

G

A

A

S

S

L

L

S

T

V

L

Y

R

N

R

G

G

G

Q

T

E

E

R

R

R

T

R

I

M

L

P

L

L

E

E

D

D

F

F

T

L

G

E

P

Y

G

R

R

K

T

Q

V

D

L
x
R

S

R

P

P

G

G

D

E

I

F

V
|
V

T

E

G

S

I

V

S

T

L

L

P

P

A

K

P

S

R

A

P

P

T

-

S

-

G

G

R

L

A

R

Y

C

I

Y

K

K

H

L

G

S

R

K

R

R

K

F

A

D

M
x
Q

E

D

L

I

A

S

T

A

V

V

G

C

V

G

A

C

V

L

S

N

I

L

E

T

H

L

V

K

A

G

G

S

Q

K

C

I

S

E

D

T

I

A

R

R

I

I

A

A

L

F

G

G

A

G

V

M

A

A

P

G

T

V

V

P

I

K

R

R

A

A

R

A

T

F

E

E

D

A

L

A

I

L

R

I

G

G

R

Q

R

D

I

F

D

R

A

E

A

D

L

T

L

I

A

A

E

A

A

A

A

L

E

P

S

L

A

L

M

A

Q

Q

E

D

A

F

T

T

P

P

I

L

G

S

N

D

V

M

R

R

A

A

S

S

A

A

Y

Y

R

R

R

M

D

N

M

A

V

A

G

Q

V

A

L

M

T

A

R

L

R

R

A

Y

I

V

binding flavin-adenine dinucleotide: L189 (≠ I28), A191 (= A30), G192 (= G31), G193 (= G32), T194 (= T33), D195 (= D34), V196 (≠ L35), W199 (≠ E38), L213 (≠ I52), F258 (≠ L100), A259 (≠ G101), A267 (= A109), T268 (= T110), G271 (= G113), N272 (= N114), A274 (≠ C116), N275 (≠ R117), G280 (≠ A122), D281 (= D123), R318 (≠ L160), V324 (= V166), Q347 (≠ M191)

Sites not aligning to the query:

1jroA Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus (see paper)
32% identity, 94% coverage: 9:279/287 of query aligns to 167:435/450 of 1jroA

query
sites
1jroA

P

P

A

A

S

F

L

L

A

P

E

E

A

T

S

S

D

D

L

A

L

L

R

A

R

D

L

W

-

Y

-

L

-

A

G

H

K

P

D

E

A

A

S

T

I
x
L

I

I

A
|
A

G
|
G

T
|
T

D
|
D

L
x
V

L

S

V

L

E

W

M

V

K

T

E

K

E

A

L

L

R

R

S

D

V

L

L

P

H

E

L

V

V

A

N

F

I

L

K

S

K

H

I

C

P

K

N

D

L

L

R

A

D

Q

F

I

T

R

Y

E

D

T

P

P

A

D

A

-

G

G

L

Y

R

G

F

I

G

G

A

A

L

G

V

V

T

T

V

I

-

A

-

L

R

R

E

A

I

F

E

A

T

E

S

G

P

P

H

H

V

-

I

-

G

-

N

-

Y

-

P

P

N

A

L

L

A

A

K

G

A

L

V

L

S

R

L

R

L
x
F

G
x
A

S

S

V

E

Q

Q

V

V

R

R

N

Q

R

V

A

A

T
|
T

I

I

V

G

G
|
G

N
|
N

I

I

C
x
A

R

N

A

G

S

S

P

P

S

I

A
x
G

D
|
D

T

G

I

P

P

P

P

A

L

L

I

I

A

A

D

M

G

G

A

A

S

S

L

L

S

T

V

L

Y

R

N

R

G

G

G

Q

T

E

E

R

R

R

T

R

I

M

L

P

L

L

E

E

D

D

F

F

T

L

G

E

P

Y

G

R

R

K

T

Q

V

D

L
x
R

S

R

P

P

G

G

D

E

I

F

V
|
V

T

E

G

S

I

V

S

T

L

L

P

P

A

K

P

S

R

A

P

P

T

-

S

-

G

G

R

L

A

R

Y

C

I

Y

K

K

H

L

G

S

R

K

R

R

K

F

A

D

M

Q

E

D

L

I

A

S

T

A

V

V

G

C

V

G

A

C

V

L

S

N

I

L

E

T

H

L

V

K

A

G

G

S

Q

K

C

I

S

E

D

T

I

A

R

R

I

I

A

A

L

F

G

G

A

G

V

M

A

A

P

G

T

V

V

P

I

K

R

R

A

A

R

A

T

F

E

E

D

A

L

A

I

L

R

I

G

G

R

Q

R

D

I

F

D

R

A

E

A

D

L

T

L

I

A

A

E

A

A

A

A

L

E

P

S

L

A

L

M

A

Q

Q

E

D

A

F

T

T

P

P

I

L

G

S

N

D

V

M

R

R

A

A

S

S

A

A

Y

Y

R

R

R

M

D

N

M

A

V

A

G

Q

V

A

L

M

T

A

R

L

R

R

A

Y

I

V

binding flavin-adenine dinucleotide: L189 (≠ I28), A191 (= A30), G192 (= G31), G193 (= G32), T194 (= T33), D195 (= D34), V196 (≠ L35), F258 (≠ L100), A259 (≠ G101), T268 (= T110), G271 (= G113), N272 (= N114), A274 (≠ C116), G280 (≠ A122), D281 (= D123), R318 (≠ L160), V324 (= V166)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 42, 43
binding fe2/s2 (inorganic) cluster: 37, 38, 39, 40, 42, 44, 45, 47, 63, 103, 106, 134, 136

1t3qC Crystal structure of quinoline 2-oxidoreductase from pseudomonas putida 86 (see paper)
32% identity, 99% coverage: 4:286/287 of query aligns to 6:283/285 of 1t3qC

query
sites
1t3qC

F

F

E

S

Y

Y

Y

R

E

A

P

P

A

A

S

S

L

L

A

Q

E

E

A

V

S

I

D

Q

L

V

L

L

R

A

R

D

L

-

G

D

K

P

D

D

A

A

S

R

I
|
I

I

I

A
|
A

G
|
G

T
x
Q

D
x
S

L
|
L

L

L

V

P

E

L

M

L

K

A

E

F

E

R

L

L

R

V

S

Y

V

P

L

S

H

C

L

L

V

V

N

D

I

L

K

R

K

N

I

V

P

S

N

E

L

L

R

-

D

-

F

F

T

E

Y

I

D

S

P

Q

A

S

A

A

G

G

-

I

L

L

R

S

F

V

G

G

A

A

L

M

V

V

T

T

V

H

R

F

E

R

I

N

E

K

T

T

S

D

P

P

H

T

V

V

I

A

G

K

N

C

Y

V

P

P

N

I

L

L

A

P

K

K

A

V

V

L

S

A

L

H

L
x
V

G
x
A

S

H

V

Q

Q

A

V
|
V

R

R

N

N

R

R

A

G

T
|
T

I

L

V

G

G
|
G

N
x
S

I

L

C
x
A

R

H

A

A

S

D

P

A

S

G

A
|
A

D
x
E

T

-

I

M

P

P

P

F

L

L

I

M

A

A

D

T

-

L

G

G

A

A

S

T

L

M

S

Y

V

I

Y

A

N

S

G

S

G

A

T

G

E

V

R

R

T

S

I

V

L

S

L

A

E

T

D

D

F

F

F

M

T

K

G

G

P

H

G

Y

R

F

T

T

V

D

L

L

S

E

P

A

G

G

D

E

I

V

V
x
L

T

V

G

R

I

V

S

E

L

I

P

P

A

I

P

P

R

-

P

-

T

A

S

L

G

H

R

W

A

E

Y

F

I

D

K

E

H

Y

G

A

R

R

K

K

A

G

M

-

E

D

L
x
Y

A

A

T

L

V

V

G

M

V

A

A

A

V

A

S

G

I

L

E

S

H

M

V

Q

A

G

G

G

Q

R

C

C

S

V

D

A

I

A

R

R

I

I

A

A

L

L

G

G

A

A

V

V

A

E

P

E

T

R

V

A

I

H

R

Q

A

A

R

I

R

R

T

A

E

N

D

D

L

F

I

L

R

V

G

G

R

K

R

V

I

I

D

D

A

E

A

S

L

T

L

A

A

A

E

T

A

A

E

E

S

L

A

A

M

T

Q

E

E

G

A

L

T

E

P

P

I

R

G

S

N

D

V

I

R

H

A

G

S

S

A

R

A

D

Y

L

R

R

R

L

D

S

M

L

V

A

G

K

V

A

L

I

T

T

R

Q

R

R

A

V

I

I

G

L

Y

K

A

A

M

A

G

Q

G

G

A

A

binding flavin-adenine dinucleotide: I29 (= I28), A31 (= A30), G32 (= G31), G33 (= G32), Q34 (≠ T33), S35 (≠ D34), L36 (= L35), V100 (≠ L100), A101 (≠ G101), V105 (= V105), T110 (= T110), G113 (= G113), S114 (≠ N114), A116 (≠ C116), A122 (= A122), E123 (≠ D123), L166 (≠ V166), Y190 (≠ L193)

Q8GUQ8 Xanthine dehydrogenase 1; AtXDH1; EC 1.17.1.4 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
29% identity, 89% coverage: 6:260/287 of query aligns to 264:535/1361 of Q8GUQ8

query
sites
Q8GUQ8

Y

W

Y

Y

E

R

P

P

A

V

S

C

L

L

A

Q

E

N

A

L

S

L

D

E

L

L

L

K

R

A

R

N

L

Y

G

-

K

P

D

D

A

A

S

K

I

L

A

V

G

G

G

N

T

T

D

E

L

V

L

G

V

I

E

E

M

M

K

R

E

L

E

K

L

R

R

L

S

Q

V

Y

L

Q

H

V

L

L

V

I

N

S

I

V

K

A

K

Q

I

V

P

P

-

E

-

L

-

N

-

A

-

L

N

N

L

V

R

N

D

D

F

N

T

G

Y

I

D

E

P

V

A

G

A

S

G

A

L

L

R

R

F

L

G

S

A

E

L

L

V

L

T

R

V

L

-

F

R

R

E

K

I

I

-

V

-

K

E

E

T

R

S

P

P

A

H

H

V

E

I

T

G

S

N

A

Y

C

P

K

N

A

L

F

A

I

K

E

A

Q

V

L

S

K

L
x
W

L

F

G

A

S

G

V

T

Q

Q

V

I

R

R

N

N

R

V

A

A

T

C

I

I

V

G

G

G

N

N

I

I

C

C

R

T

A

A

S

S

P

P

S

I

A

S

D

D

T

L

I

N

P

P

P

L

L

W

I

M

A

A

D

S

G

R

A

A

S

E

L

F

S

R

V

I

Y

T

N

N

-

C

G

N

G

G

T

D

E

V

R

R

T

S

I

I

L

P

L

A

E

K

D

D

F

F

T

L

G

G

P
x
Y

G

R

R

K

T

V

V

D

L

M

S

G

P

S

G

N

D

E

I

I

V

L

T

L

G

S

I

V

S

F

L

L

P

P

A

W

P

T

R

R

P

P

T

L

S

E

G

Y

R

V

A

K

Y

E

I

F

K

K

H

Q

G

A

R

H

R

R

K

R

A

D

M

D

E

D

L

I

A

A

T

I

V

V

-

N

-

G

G

G

V

M

A

R

V

V

S

F

I

L

E

E

H

D

V

K

A

G

G

Q

Q

Q

-

L

-

F

C

V

S

S

D

D

I

A

R

S

I

I

A

A

L

Y

G

G

A

G

V

V

A

A

P

P

T

L

V

S

I

L

R

C

A

A

R

R

R

K

T

T

E

E

D

E

L

F

I

L

R

I

G

G

R

K

R

N

I

W

D

N

A

K

A

D

L

L

A

Q

E

D

A

A

-

L

-

K

-

V

-

I

-

Q

A

S

E

D

S

V

A

V

M

I

Q

K

E

E

A

D

T

A

P

P

I

G

G

G

N

M

V

V

W364 (≠ L99) mutation to A: Decreases activity 8-fold.
Y421 (≠ P155) mutation to A: Decreases activity 4-fold.

Sites not aligning to the query:

831 E→A: Loss of activity.
909 R→A: Decreases activity 12-fold.
1297 E→A: Decreases activity 40-fold.

7dqxE Crystal structure of xanthine dehydrogenase family protein
29% identity, 99% coverage: 1:283/287 of query aligns to 1:284/293 of 7dqxE

query
sites
7dqxE

M

M

K

K

P

P

-

P

-

S

F

F

E

D

Y

Y

Y

V

E

V

P

A

A

D

S

S

L

V

A

E

E

H

A

A

S

L

D

R

L

L

R

A

R

D

L

G

G

G

K

D

D

D

A

A

S
x
K

I
|
I

A

A

G
|
G

T
x
Q

D
x
S

L
|
L

L

V

V

P

E

L

M

L

K

N

E

F

E

R

L

M

R

S

S

R

V

P

L

S

H

L

L

L

V

V

N

D

I

I

K

N

K

R

I

V

P

P

N

G

L

L

R

A

D

N

F

I

T

R

Y

K

D

S

P

D

A

Q

A

T

G

-

L

I

R

A

F

I

G

G

A

A

L

L

V

T

T

R

V
x
H

R

A

E

K

I

L

E

T

T

T

S

S

P

K

H

T

V

I

I

S

G

Q

N

N

Y

L

P

P

N

I

L

L

A

S

K

E

A

A

V

A

S

A

L

W

L
x
I

G
x
A

S

H

V

P

Q

Q

V
x
I

R

R

N

N

R

R

A
x
G

T
|
T

I

I

V
x
G

G
|
G

N
x
S

I

L

C
x
A

R

H

A

A

S

D

P

A

S

A

A
|
A

D
x
E

T

L

I

P

P

V

L

L

I

L

A

A

D

L

G

D

A

A

S

Y

L

V

S

T

V

A

Y

Q

N

S

G

L

G

Q

T

G

E

E

R

R

T

K

I

I

L

P

L

L

E

K

D

E

F

L

T

V

G

S

P

H

G

F

R

V

T

S

V

S

L

I

S

L

P

P

G

G

D

E

I

L

V
x
I

T

V

G

E

I

V

S

N

L

V

P

P

A

Q

P

L

R

P

P

H

T

G

S

S

G

G

R

A

A

A

Y

F

I

D

K

E

H

F

G

S

R

R

K

H

A

G

M

-

E

D

L
x
Y

A

A

T

I

V

G

G

G

V

A

A

A

-

S

-

L

V

V

S

T

I

L

E

D

H

E

V

-

A

Q

G

G

Q

K

C

C

S

S

D

R

I

A

R

R

I

I

A

T

L

V

G

L

A

G

V

G

A

G

P

S

T

T

V

A

I

I

R

R

A

C

R

Q

R

E

T

A

E

E

D

N

L

I

I

L

R

I

G

D

R

S

R

T

I

L

D

S

A

S

A

H

L

D

L

I

A

A

E

A

A

A

E

H

S

A

A

A

M

V

Q

Q

E

G

A

L

T

D

P

P

I

V

G

P

N

T

V

V

R

H

A

G

S

S

A

A

A

Q

Y

Y

R

R

R

A

D

Q

M

V

V

I

G

R

V

T

L

M

T

V

R

E

R

R

A

T

I

L

G

A

Y

K

A

A

M

L

binding flavin-adenine dinucleotide: K29 (≠ S27), I30 (= I28), I31 (= I29), G33 (= G31), G34 (= G32), Q35 (≠ T33), S36 (≠ D34), L37 (= L35), H78 (≠ V77), I101 (≠ L100), A102 (≠ G101), I106 (≠ V105), G110 (≠ A109), T111 (= T110), G113 (≠ V112), G114 (= G113), S115 (≠ N114), A117 (≠ C116), A123 (= A122), E124 (≠ D123), I167 (≠ V166), Y193 (≠ L193)

P47989 Xanthine dehydrogenase/oxidase; EC 1.17.1.4; EC 1.17.3.2 from Homo sapiens (Human) (see 4 papers)
27% identity, 78% coverage: 6:229/287 of query aligns to 236:469/1333 of P47989

query
sites
P47989

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

D

A

A

S

K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

M

S

L

V

F

L

P

H

M

L

I

V

V

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

S

F

V

T

E

Y

H

D

G

P

P

A

D

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

P

V

L

R

S

E

I

I

V

E

E

-

K

T

T

S

L

P

V

H

D

V

A

I

V

G

A

N

K

Y

L

P

P

-

A

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

N

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G

A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A

A

T
x
S

I
x
V

V
x
G

G
|
G

N
|
N

I

I

C

I

R

T

A

A

S

S

P

P

S

I

A

S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

A

S

K

L

L

S

T

V

L

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

Q

L

M

E

D

-

H

D

T

F

F

T

P

G

G

P

Y

G

R

R
x
K

T

T

V

L

L

L

S

S

P

P

G

E

D

E

I

I

V

L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

G

S

E

G

Y

R

F

A

S

Y

A

I

F

K
|
K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

T

K

V

V

-

T

-

S

G

G

V

M

A

R

V

V

S

L

I

F

E

K

H

P

V

G

A

T

G

T

Q

E

C

V

S

Q

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

N

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

257:264 (vs. 28:35, 25% identical) binding
F337 (≠ L100) binding
SVGGN 347:351 (≠ TIVGN 110:114) binding
D360 (= D123) binding
K395 (≠ R157) to M: in dbSNP:rs34929837
K422 (= K184) binding

Sites not aligning to the query:

133 E → K: in dbSNP:rs45447191
172 G → R: in dbSNP:rs45523133
235 T → M: in dbSNP:rs45469499
509 modified: Disulfide link with 1318, In oxidase form
536 modified: Disulfide link with 993, In oxidase form
555 P → S: in dbSNP:rs45577338
584 D → A: in dbSNP:rs45491693
607 R → Q: in dbSNP:rs45442092
617 K → N: in dbSNP:rs45442398
623 T → I: in dbSNP:rs45448694
646 I → V: in dbSNP:rs17323225
703 I → V: in dbSNP:rs17011368
763 L → F: in a breast cancer sample; somatic mutation
791 R → G: in a breast cancer sample; somatic mutation; dbSNP:rs775646772
910 T → M: in dbSNP:rs669884
993 modified: Disulfide link with 536, In oxidase form
1091 V → L: in dbSNP:rs45619033
1109 N → T: in dbSNP:rs45547640
1150 P → R: in dbSNP:rs1042036
1176 R → C: in dbSNP:rs45624433
1296 R → W: in dbSNP:rs45564939
1318 modified: Disulfide link with 509, In oxidase form

2e1qA Crystal structure of human xanthine oxidoreductase mutant, glu803val (see paper)
27% identity, 78% coverage: 6:229/287 of query aligns to 210:443/1307 of 2e1qA

query
sites
2e1qA

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

D

A

A

S
x
K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

M

S

L

V

F

L

P

H

M

L

I

V

V

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

S

F

V

T

E

Y

H

D

G

P

P

A

D

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

P

V

L

R

S

E

I

I

V

E

E

-

K

T

T

S

L

P

V

H

D

V

A

I

V

G

A

N

K

Y

L

P

P

-

A

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

N

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V
|
V

R

K

N

S

R

V

A
|
A

T
x
S

I

V

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

A

S

K

L

L

S

T

V

L

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

Q

L

M

E

D

-

H

D

T

F

F

T

P

G

G

P

Y

G

R

R

K

T

T

V

L

L

L

S

S

P

P

G

E

D

E

I
|
I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

G

S

E

G

Y

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

T

K

V

V

-

T

-

S

G

G

V

M

A

R

V

V

S

L

I

F

E

K

H

P

V

G

A

T

G

T

Q

E

C

V

S

Q

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

N

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: K230 (≠ S27), L231 (≠ I28), V232 (≠ I29), V233 (≠ A30), G234 (= G31), N235 (≠ G32), T236 (= T33), E237 (≠ D34), I238 (≠ L35), F311 (≠ L100), A312 (≠ G101), V316 (= V105), A320 (= A109), S321 (≠ T110), G324 (= G113), N325 (= N114), I327 (≠ C116), T328 (≠ R117), S333 (≠ A122), D334 (= D123), I377 (= I165), L378 (≠ V166)

Sites not aligning to the query:

active site: 742, 777, 855, 859, 887, 1235, 1236
binding bicarbonate ion: 814, 815, 852, 886, 889, 890, 893
binding calcium ion: 715, 716, 718, 741, 747, 780, 781, 784, 811, 812
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148, 719
binding hydroxy(dioxo)molybdenum: 773, 774, 887, 1053, 1054, 1236

3unaA Crystal structure of bovine milk xanthine dehydrogenase with NAD bound (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 206:439/1286 of 3unaA

query
sites
3unaA

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S

K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P
|
P

S

I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P
x
Y

G
x
R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I
|
I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A
|
A

P
x
D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: L227 (≠ I28), V228 (≠ I29), V229 (≠ A30), G230 (= G31), N231 (≠ G32), T232 (= T33), E233 (≠ D34), I234 (≠ L35), F307 (≠ L100), A308 (≠ G101), A316 (= A109), S317 (≠ T110), G320 (= G113), N321 (= N114), I323 (≠ C116), T324 (≠ R117), S329 (≠ A122), D330 (= D123), I373 (= I165), L374 (≠ V166)
binding nicotinamide-adenine-dinucleotide: P327 (= P120), Y363 (≠ P155), R364 (≠ G156), A430 (= A220), D431 (≠ P221)

Sites not aligning to the query:

active site: 729, 764, 842, 846, 874, 1222, 1223
binding calcium ion: 829, 832, 833, 836, 869, 870
binding carbonate ion: 801, 802, 871, 872, 876, 877, 880
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 69, 71, 110, 111, 112, 114, 146, 148, 706
binding nicotinamide-adenine-dinucleotide: 471, 478

3ax7A Bovine xanthine oxidase, protease cleaved form (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 177:410/1225 of 3ax7A

query
sites
3ax7A

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S
x
K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V
|
V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P

Y

G

R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I

I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: K197 (≠ S27), L198 (≠ I28), V199 (≠ I29), V200 (≠ A30), G201 (= G31), N202 (≠ G32), T203 (= T33), E204 (≠ D34), I205 (≠ L35), F278 (≠ L100), A279 (≠ G101), V283 (= V105), A287 (= A109), S288 (≠ T110), G291 (= G113), N292 (= N114), I294 (≠ C116), T295 (≠ R117), S300 (≠ A122), D301 (= D123), L345 (≠ V166)

Sites not aligning to the query:

active site: 666, 701, 779, 783, 811, 1159, 1160
binding bicarbonate ion: 738, 739, 776, 808, 809, 814, 817
binding calcium ion: 766, 769, 770, 773, 806, 807
binding flavin-adenine dinucleotide: 45
binding fe2/s2 (inorganic) cluster: 41, 42, 43, 45, 47, 48, 50, 70, 72, 112, 113, 115, 147, 149, 643
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: 111, 149, 695, 696, 697, 698, 810, 811, 937, 938, 939, 977, 978, 979, 981, 1093, 1160

3amzA Bovine xanthine oxidoreductase urate bound form (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 208:441/1291 of 3amzA

query
sites
3amzA

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S

K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G

A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S
|
S

P
|
P

S
x
I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P
x
Y

G
x
R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I
|
I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E
x
D

L
x
I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A
x
G

V

M

A
|
A

P
x
D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: L229 (≠ I28), V230 (≠ I29), V231 (≠ A30), G232 (= G31), N233 (≠ G32), T234 (= T33), E235 (≠ D34), I236 (≠ L35), F309 (≠ L100), A318 (= A109), S319 (≠ T110), G322 (= G113), N323 (= N114), I325 (≠ C116), T326 (≠ R117), S331 (≠ A122), D332 (= D123), I375 (= I165), L376 (≠ V166)
binding 1,4-dihydronicotinamide adenine dinucleotide: S328 (= S119), P329 (= P120), I330 (≠ S121), Y365 (≠ P155), R366 (≠ G156), D402 (≠ E192), I403 (≠ L193), G430 (≠ A218), A432 (= A220), D433 (≠ P221)

Sites not aligning to the query:

active site: 731, 766, 844, 848, 876, 1224, 1225
binding bicarbonate ion: 803, 804, 873, 874, 878, 879, 882
binding calcium ion: 831, 834, 835, 838, 871, 872
binding flavin-adenine dinucleotide: 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148, 708
binding 1,4-dihydronicotinamide adenine dinucleotide: 473, 480, 1189
binding uric acid: 766, 844, 878, 973, 974, 1043, 1225

3am9A Complex of bovine xanthine dehydrogenase and trihydroxy fyx-051 (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 208:441/1293 of 3am9A

query
sites
3am9A

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S
x
K

I
x
L

I

V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V
|
V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A

S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P

Y

G

R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I

I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K
|
K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: K228 (≠ S27), L229 (≠ I28), V231 (≠ A30), G232 (= G31), N233 (≠ G32), T234 (= T33), E235 (≠ D34), I236 (≠ L35), F309 (≠ L100), A310 (≠ G101), V314 (= V105), A318 (= A109), S319 (≠ T110), G322 (= G113), N323 (= N114), I325 (≠ C116), T326 (≠ R117), D332 (= D123), L376 (≠ V166), K394 (= K184)

Sites not aligning to the query:

active site: 733, 768, 846, 850, 878, 1226, 1227
binding bicarbonate ion: 805, 806, 875, 876, 877, 884
binding calcium ion: 707, 709, 802, 803, 833, 836, 837, 840, 873, 874
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 111, 112, 114, 146, 148, 710
binding 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile: 614, 768, 839, 842, 846, 880, 975, 980, 1045, 1227

1vdvA Bovine milk xanthine dehydrogenase y-700 bound form (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 208:441/1299 of 1vdvA

query
sites
1vdvA

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S

K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P

Y

G

R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I
|
I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: L229 (≠ I28), V230 (≠ I29), V231 (≠ A30), G232 (= G31), N233 (≠ G32), T234 (= T33), E235 (≠ D34), I236 (≠ L35), F309 (≠ L100), A310 (≠ G101), A318 (= A109), S319 (≠ T110), G322 (= G113), N323 (= N114), I325 (≠ C116), T326 (≠ R117), S331 (≠ A122), D332 (= D123), I375 (= I165), L376 (≠ V166)

Sites not aligning to the query:

active site: 734, 769, 847, 851, 879, 1227, 1228
binding calcium ion: 708, 710, 803, 804, 834, 837, 838, 841, 874, 875
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148, 711
binding 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid: 769, 840, 843, 847, 881, 976, 977, 978, 981, 1043, 1046

1v97A Crystal structure of bovine milk xanthine dehydrogenase fyx-051 bound form (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 208:441/1298 of 1v97A

query
sites
1v97A

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S
x
K

I
x
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A
x
S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P

Y

G

R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I
|
I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: K228 (≠ S27), L229 (≠ I28), V230 (≠ I29), V231 (≠ A30), G232 (= G31), N233 (≠ G32), T234 (= T33), E235 (≠ D34), I236 (≠ L35), F309 (≠ L100), A310 (≠ G101), A318 (= A109), S319 (≠ T110), G322 (= G113), N323 (= N114), I325 (≠ C116), T326 (≠ R117), S331 (≠ A122), D332 (= D123), I375 (= I165), L376 (≠ V166)

Sites not aligning to the query:

active site: 733, 768, 846, 850, 878, 1226, 1227
binding calcium ion: 833, 836, 837, 840, 873, 874
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148, 710
binding 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile: 768, 839, 846, 880, 975, 980, 1042, 1044, 1045, 1227

1n5xA Xanthine dehydrogenase from bovine milk with inhibitor tei-6720 bound (see paper)
25% identity, 78% coverage: 6:229/287 of query aligns to 208:441/1290 of 1n5xA

query
sites
1n5xA

Y

W

Y

I

E

Q

P

A

A

S

S

T

L

L

A

K

E

E

A

L

S

L

D

D

L

L

L

-

R

K

R

A

L

Q

G

H

K

P

D

E

A

A

S

K

I
x
L

I

V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

L
x
I

L

G

V

I

E

E

M

M

K

K

E

F

E

K

L

N

R

Q

S

L

V

F

L

P

H

M

L

I

V

I

N

C

I

P

K

A

K

W

I

I

P

P

N

E

L

L

R

N

D

A

F

V

T

E

Y

H

D

G

P

P

A

E

A

-

G

G

L

I

R

S

F

F

G

G

A

A

L

A

V

C

T

A

V

L

R

S

E

S

I

V

E

E

-

K

T

T

S

L

P

L

H

E

V

A

I

V

G

A

N

K

Y

L

P

P

N

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

L

V

A

L

K

E

A

Q

V

L

S

R

L

W

L
x
F

G
x
A

S

G

V

K

Q

Q

V

V

R

K

N

S

R

V

A
|
A

T
x
S

I

L

V

G

G
|
G

N
|
N

I

I

C
x
I

R
x
T

A

A

S

S

P

P

S

I

A

S

D
|
D

T

L

I

N

P

P

P

V

L

F

I

M

A

A

D

S

G

G

A

T

S

K

L

L

S

T

V

I

Y

V

N

S

G

R

G

G

T

T

E

R

R

R

T

T

I

V

L

P

L

M

E

D

-

H

D

T

F

F

T

P

G

S

P

Y

G

R

R

K

T

T

V

L

L

L

S

G

P

P

G

E

D

E

I

I

V
x
L

T

L

G

S

I

I

S

E

L

I

P

P

A

Y

P

S

R

R

P

E

T

D

S

E

G

F

R

F

A

S

Y

A

I

F

K

K

H

Q

G

A

R

S

R

R

K

R

A

E

M

D

E

D

L

I

A

A

-

K

-

V

T

T

V

C

G

G

V

M

A

R

V

V

S

L

I

F

E

Q

H

P

V

G

A

S

G

M

Q

Q

C

V

S

K

D

E

I

L

R

A

I

L

A

C

L

Y

G

G

A

G

V

M

A

A

P

D

T

R

V

T

I

I

R

S

A

A

R

L

R

K

T

T

binding flavin-adenine dinucleotide: L229 (≠ I28), V231 (≠ A30), G232 (= G31), N233 (≠ G32), T234 (= T33), E235 (≠ D34), I236 (≠ L35), F309 (≠ L100), A310 (≠ G101), A318 (= A109), S319 (≠ T110), G322 (= G113), N323 (= N114), I325 (≠ C116), T326 (≠ R117), D332 (= D123), L376 (≠ V166)

Sites not aligning to the query:

active site: 734, 769, 847, 851, 879, 1227, 1228
binding flavin-adenine dinucleotide: 43, 44
binding fe2/s2 (inorganic) cluster: 40, 41, 42, 44, 46, 47, 49, 71, 110, 111, 112, 114, 146, 148, 711
binding 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid: 615, 738, 769, 840, 847, 881, 976, 977, 978, 981

Query Sequence

>SM_b20130 SM_b20130 dehydrogenase
MKPFEYYEPASLAEASDLLRRLGKDASIIAGGTDLLVEMKEELRSVLHLVNIKKIPNLRD
FTYDPAAGLRFGALVTVREIETSPHVIGNYPNLAKAVSLLGSVQVRNRATIVGNICRASP
SADTIPPLIADGASLSVYNGGTERTILLEDFFTGPGRTVLSPGDIVTGISLPAPRPTSGR
AYIKHGRRKAMELATVGVAVSIEHVAGQCSDIRIALGAVAPTVIRARRTEDLIRGRRIDA
ALLAEAAESAMQEATPIGNVRASAAYRRDMVGVLTRRAIGYAMGGAQ

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