SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_110805320.1 NCBI__GCF_003217355.1:WP_110805320.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

2w54A Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus in complex with bound inhibitor pterin-6-aldehyde (see paper)
85% identity, 100% coverage: 1:460/462 of query aligns to 1:448/450 of 2w54A

query
sites
2w54A

M

M

E

E

I

I

A

A

F

F

L

L

N

N

G

G

E

E

T

T

R

R

Q

R

V

V

R

R

I

I

D

E

D

D

P

P

T

T

Q

Q

S

S

L

L

D

E

W

W

L

L

R

R

A

A

E

E

G

G

L

L

T

T

G

G

T

T

K

K

E

E

G
|
G

C
|
C

N
|
N

E

E

G
|
G

D

D

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

I

R

R

D

D

A

A

S

A

G

G

S

S

R

R

A

A

V

V

N

N

A

A

C
|
C

L

L

T

M

M

M

M

L

P

P

Q

Q

V

I

A

A

G

G

K

K

A

A

L

L

R

R

T

T

V

I

E

E

G

G

I

I

A

A

P

P

D

D

G

G

T

R

L

L

H

H

P

P

V

V

Q

Q

A

A

M

M

I

I

D

D

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

F

I

I

V

V

S

S

M

M

A

A

H

H

G

D

K

R

E

D

R

R

T

K

D

D

Y

Y

D

D

L

L

A

A

G

G

N

N

L

L

C
|
C

R
|
R

C
|
C

T

T

G

G

Y

Y

A

A

P

P

I

I

L

L

R

R

A

A

E

E

A

A

T

G

A

E

P

P

A

A

E

D

W

W

L

L

C

Q

A

A

D

D

A

A

F

F

A

T

L

L

T

P

Q

-

R

-

S

-

P

-

G

-

P

-

G

-

Q

-

T

-

A

-

T

-

A

A

F

F

L

L

P

P

E

E

T

T

A

S

D

D

A

A

L

L

A

A

E

D

W

W

Y

Y

L

L

A

A

H

H

P

P

E

E

A

A

T

T

L
|
L

I

I

A
|
A

G
|
G

T
|
T

D
|
D

V
|
V

G

S

L

L

W
|
W

V

V

T

T

K

K

G

A

L

L

R

R

D

D

L

L

P

P

E

E

V

V

A

A

F

F

L
|
L

D

S

H

H

C

C

K

K

D

D

L

L

T

A

Q

Q

I

I

R

R

E

E

T

T

S

P

E

D

G

G

F

Y

V

G

I

I

G

G

A

A

G

G

V

V

T

T

I

I

A

A

L

L

R

R

A

A

W

F

A

A

E

E

G

G

P

P

H

H

P

P

A

A

L

L

A

A

R

G

L

L

R

R

F
|
F

A
|
A

S

S

E

E

Q

Q

V

V

R

R

Q

Q

M

V

A
|
A

T
|
T

I

I

G

G

G
|
G

N
|
N

I

I

A
|
A

N
|
N

G

G

S

S

P

P

I

I

G
|
G

D
|
D

G

G

P

P

A

A

L

L

I

I

A

A

M

M

G

G

A

A

S

S

L

L

T

T

L

L

R

R

G

G

K

Q

D

E

R

R

V

R

I

M

P

P

L

L

E

E

A

D

F

F

L

L

D

E

Y

Y

R

R

K

K

Q

Q

D

D

R
|
R

R

R

P

P

G

G

E

E

F

F

V
|
V

E

E

G

S

V

V

T

T

L

L

P

P

K

K

S

S

A

A

P

P

E

G

L

L

R

R

C

C

Y

Y

K

K

L

L

S

S

K

K

R

R

F

F

D

D

Q
|
Q

D

D

I

I

S

S

S

A

V

V

C

C

V

G

C

C

L

L

N

N

L

L

T

T

L

L

K

K

G

G

S

S

K

K

I

I

E

E

S

T

A

A

R

R

A

I

A

A

F

F

G

G

M

M

A

A

G

G

I

V

P

P

K

K

R

R

A

A

S

A

N

A

F

F

E

E

A

A

L

L

I

I

G

G

Q

Q

P

D

F

F

T

R

E

E

E

D

S

T

I

I

T

A

A

A

L

L

P

P

L

L

E

A

Q

Q

D

D

F

F

T

T

P

P

L

L

S

S

D

D

M

M

R

R

A

A

S

S

A

A

Y

Y

R

R

M

M

N

N

A

A

Q

Q

A

A

M

M

A

A

L

L

R

R

Y

Y

V

V

R

R

E

E

L

L

S

S

G

G

L

E

S

A

V

V

S

A

V

V

L

L

E

E

V

V

binding flavin-adenine dinucleotide: G42 (= G42), L189 (= L201), A191 (= A203), G192 (= G204), G193 (= G205), T194 (= T206), D195 (= D207), V196 (= V208), W199 (= W211), L213 (= L225), F258 (= F270), A259 (= A271), A267 (= A279), T268 (= T280), G271 (= G283), N272 (= N284), A274 (= A286), N275 (= N287), G280 (= G292), D281 (= D293), R318 (= R330), V324 (= V336), Q347 (= Q359)
binding fe2/s2 (inorganic) cluster: G38 (= G38), C39 (= C39), N40 (= N40), G42 (= G42), C44 (= C44), G45 (= G45), C47 (= C47), C63 (= C63), C103 (= C103), G104 (= G104), C106 (= C106), C134 (= C134), R135 (= R135), C136 (= C136)
binding {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum: Q102 (= Q102), C136 (= C136)

1jroA Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus (see paper)
85% identity, 100% coverage: 1:460/462 of query aligns to 1:448/450 of 1jroA

query
sites
1jroA

M

M

E

E

I

I

A

A

F

F

L

L

N

N

G

G

E

E

T

T

R

R

Q

R

V

V

R

R

I

I

D

E

D

D

P

P

T

T

Q

Q

S

S

L

L

D

E

W

L

L

L

R

R

A

A

E

E

G

G

L

L

T

T

G

G

T

T

K

K

E
|
E

G
|
G

C
|
C

N
|
N

E

E

G
|
G

D
|
D

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

I

R

R

D

D

A

A

S

A

G

G

S

S

R

R

A

A

V

V

N

N

A

A

C
|
C

L

L

T

M

M

M

M

L

P

P

Q

Q

V

I

A

A

G

G

K

K

A

A

L

L

R

R

T

T

V

I

E

E

G

G

I

I

A

A

P

P

D

D

G

G

T

R

L

L

H

H

P

P

V

V

Q

Q

A

A

M

M

I

I

D

D

H

H

G

G

S

S

Q

Q

C
|
C

G

G

F

F

C
|
C

T

T

P

P

G

G

F

F

I

I

V

V

S

S

M

M

A

A

H

H

G

D

K

R

E

D

R

R

T

K

D

D

Y

Y

D

D

L

L

A

A

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

A

P

P

I

I

L

L

R

R

A

A

E

E

A

A

T

G

A

E

P

P

A

A

E

D

W

W

L

L

C

Q

A

A

D

D

A

A

F

F

A

T

L

L

T

P

Q

-

R

-

S

-

P

-

G

-

P

-

G

-

Q

-

T

-

A

-

T

-

A

A

F

F

L

L

P

P

E

E

T

T

A

S

D

D

A

A

L

L

A

A

E

D

W

W

Y

Y

L

L

A

A

H

H

P

P

E

E

A

A

T

T

L
|
L

I

I

A
|
A

G
|
G

T
|
T

D
|
D

V
|
V

G

S

L

L

W

W

V

V

T

T

K

K

G

A

L

L

R

R

D

D

L

L

P

P

E

E

V

V

A

A

F

F

L

L

D

S

H

H

C

C

K

K

D

D

L

L

T

A

Q

Q

I

I

R

R

E

E

T

T

S

P

E

D

G

G

F

Y

V

G

I

I

G

G

A

A

G

G

V

V

T

T

I

I

A

A

L

L

R

R

A

A

W

F

A

A

E

E

G

G

P

P

H

H

P

P

A

A

L

L

A

A

R

G

L

L

R

R

F
|
F

A
|
A

S

S

E

E

Q

Q

V

V

R

R

Q

Q

M

V

A

A

T
|
T

I

I

G

G

G
|
G

N
|
N

I

I

A
|
A

N

N

G

G

S

S

P

P

I

I

G
|
G

D
|
D

G

G

P

P

A

A

L

L

I

I

A

A

M

M

G

G

A

A

S

S

L

L

T

T

L

L

R

R

G

G

K

Q

D

E

R

R

V

R

I

M

P

P

L

L

E

E

A

D

F

F

L

L

D

E

Y

Y

R

R

K

K

Q

Q

D

D

R
|
R

R

R

P

P

G

G

E

E

F

F

V
|
V

E

E

G

S

V

V

T

T

L

L

P

P

K

K

S

S

A

A

P

P

E

G

L

L

R

R

C

C

Y

Y

K

K

L

L

S

S

K

K

R

R

F

F

D

D

Q

Q

D

D

I

I

S

S

S

A

V

V

C

C

V

G

C

C

L

L

N

N

L

L

T

T

L

L

K

K

G

G

S

S

K

K

I

I

E

E

S

T

A

A

R

R

A

I

A

A

F

F

G

G

M

M

A

A

G

G

I

V

P

P

K

K

R

R

A

A

S

A

N

A

F

F

E

E

A

A

L

L

I

I

G

G

Q

Q

P

D

F

F

T

R

E

E

E

D

S

T

I

I

T

A

A

A

L

L

P

P

L

L

E

A

Q

Q

D

D

F

F

T

T

P

P

L

L

S

S

D

D

M

M

R

R

A

A

S

S

A

A

Y

Y

R

R

M

M

N

N

A

A

Q

Q

A

A

M

M

A

A

L

L

R

R

Y

Y

V

V

R

R

E

E

L

L

S

S

G

G

L

E

S

A

V

V

S

A

V

V

L

L

E

E

V

V

binding flavin-adenine dinucleotide: G42 (= G42), D43 (= D43), L189 (= L201), A191 (= A203), G192 (= G204), G193 (= G205), T194 (= T206), D195 (= D207), V196 (= V208), F258 (= F270), A259 (= A271), T268 (= T280), G271 (= G283), N272 (= N284), A274 (= A286), G280 (= G292), D281 (= D293), R318 (= R330), V324 (= V336)
binding fe2/s2 (inorganic) cluster: E37 (= E37), G38 (= G38), C39 (= C39), N40 (= N40), G42 (= G42), C44 (= C44), G45 (= G45), C47 (= C47), C63 (= C63), C103 (= C103), C106 (= C106), C134 (= C134), C136 (= C136)

3am9A Complex of bovine xanthine dehydrogenase and trihydroxy fyx-051 (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1293 of 3am9A

query
sites
3am9A

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q

Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T
x
K

L
|
L

I

V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A
|
A

S

G

E

K

Q

Q

V
|
V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G

S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y

Y

R

R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F

I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K
|
K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D

D

I

I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

binding flavin-adenine dinucleotide: E43 (= E41), G44 (= G42), K228 (≠ T200), L229 (= L201), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A310 (= A271), V314 (= V275), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), D332 (= D293), L376 (≠ V336), K394 (= K352)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)

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 fe2/s2 (inorganic) cluster: 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

1v97A Crystal structure of bovine milk xanthine dehydrogenase fyx-051 bound form (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1298 of 1v97A

query
sites
1v97A

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T
x
K

L
|
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A
|
A

S

G

E

K

Q

Q

V

V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y

Y

R

R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F
x
I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D

D

I

I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

binding flavin-adenine dinucleotide: E43 (= E41), G44 (= G42), K228 (≠ T200), L229 (= L201), V230 (≠ I202), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A310 (= A271), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), S331 (≠ G292), D332 (= D293), I375 (≠ F335), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)

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 fe2/s2 (inorganic) cluster: 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)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1290 of 1n5xA

query
sites
1n5xA

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T

K

L
|
L

I

V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A
|
A

S

G

E

K

Q

Q

V

V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G

S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y

Y

R

R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F

I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D

D

I

I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

binding flavin-adenine dinucleotide: E43 (= E41), G44 (= G42), L229 (= L201), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A310 (= A271), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), D332 (= D293), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)

Sites not aligning to the query:

active site: 734, 769, 847, 851, 879, 1227, 1228
binding fe2/s2 (inorganic) cluster: 711
binding 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid: 615, 738, 769, 840, 847, 881, 976, 977, 978, 981

3amzA Bovine xanthine oxidoreductase urate bound form (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1291 of 3amzA

query
sites
3amzA

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T

K

L
|
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A

A

S

G

E

K

Q

Q

V

V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S
|
S

P
|
P

I
|
I

G
x
S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y
|
Y

R
|
R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F
x
I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D
|
D

I
|
I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

G
|
G

M

M

A
|
A

binding flavin-adenine dinucleotide: G44 (= G42), L229 (= L201), V230 (≠ I202), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), S331 (≠ G292), D332 (= D293), I375 (≠ F335), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)
binding 1,4-dihydronicotinamide adenine dinucleotide: S328 (= S289), P329 (= P290), I330 (= I291), Y365 (= Y325), R366 (= R326), D402 (= D360), I403 (= I361), G430 (= G386), A432 (= A388)

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 fe2/s2 (inorganic) cluster: 708
binding 1,4-dihydronicotinamide adenine dinucleotide: 433, 473, 480, 1189
binding uric acid: 766, 844, 878, 973, 974, 1043, 1225

1vdvA Bovine milk xanthine dehydrogenase y-700 bound form (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1299 of 1vdvA

query
sites
1vdvA

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T

K

L
|
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A
|
A

S

G

E

K

Q

Q

V

V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y

Y

R

R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F
x
I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D

D

I

I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

binding flavin-adenine dinucleotide: E43 (= E41), G44 (= G42), L229 (= L201), V230 (≠ I202), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A310 (= A271), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), S331 (≠ G292), D332 (= D293), I375 (≠ F335), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)

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 fe2/s2 (inorganic) cluster: 711
binding 1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid: 769, 840, 843, 847, 881, 976, 977, 978, 981, 1043, 1046

1fo4A Crystal structure of xanthine dehydrogenase isolated from bovine milk (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1299 of 1fo4A

query
sites
1fo4A

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R
|
R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T
x
K

L
|
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A
|
A

S

G

E

K

Q

Q

V

V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N

T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y

Y

R

R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F
x
I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D

D

I

I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

binding flavin-adenine dinucleotide: E43 (= E41), G44 (= G42), K228 (≠ T200), L229 (= L201), V230 (≠ I202), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), A310 (= A271), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), S331 (≠ G292), D332 (= D293), I375 (≠ F335), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), R147 (= R135), C148 (= C136)

Sites not aligning to the query:

active site: 734, 769, 847, 851, 879, 1227, 1228
binding calcium ion: 834, 837, 838, 841, 874, 875
binding fe2/s2 (inorganic) cluster: 711

3amzB Bovine xanthine oxidoreductase urate bound form (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1289 of 3amzB

query
sites
3amzB

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N
|
N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

I

A

D

K

H

S

H

H

G

G

S

S

Q
|
Q

C
|
C

G
|
G

F

F

C
|
C

T

T

P

P

G

G

F

I

I

V

V

M

S

S

M

M

A

Y

A

T

A

L

-

L

-

R

H

N

G

Q

K

P

E

E

R

P

T

T

-

V

-

E

D

E

Y

I

D

E

D

D

L

A

L

F

A

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

A

R

P

P

I

I

L

L

R

Q

A

G

A

F

E

R

A

T

A

F

A

A

T

K

A

S

P

P

-

S

-

L

-

F

-

N

P

P

A

E

E

E

W

F

L

M

C

P

A

L

D

D

A

P

A

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

F

L

A

R

L

L

T

K

Q

D

R

V

S

P

P

P

G

K

G

Q

-

L

-

R

-

F

P

E

G

G

Q

E

T

R

A

V

T

T

A

W

F

I

L

Q

P

A

E

S

T

T

A

L

D

K

A

E

L

L

A

L

E

D

W

L

Y

K

L

A

A

Q

H

H

P

P

E

E

A

A

T
x
K

L
|
L

I
x
V

A
x
V

G
|
G

G
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

G

K

L

N

R

Q

D

L

L

F

P

P

E

M

V

I

A

I

F

C

L

P

D

A

H

W

C

I

K

P

D

E

L

L

T

N

Q

A

I

V

R

E

E

H

T

G

S

P

E

E

G

G

F

I

V

S

I

F

G

G

A

A

G

A

V

C

T

A

I

L

A

S

-

V

-

E

-

K

-

T

-

L

L

L

R

E

A

A

W

V

A

A

E

K

G

L

P

P

-

T

-

Q

-

K

-

T

-

E

-

V

H

F

P

R

A

G

L

V

A

L

R

E

L

Q

L

L

R

R

R

W

F
|
F

A

A

S

G

E

K

Q

Q

V
|
V

R

K

Q

S

M

V

A
|
A

T
x
S

I

L

G

G

G
|
G

N
|
N

I

I

A
x
I

N
x
T

G

A

S
|
S

P
|
P

I
|
I

G
x
S

D
|
D

G

L

P

N

P

P

A

V

L

F

I

M

A

A

M

S

G

G

A

T

S

K

L

L

T

T

L

I

R

V

R

S

G

R

K

G

D

T

R

R

V

T

I

V

P

P

L

M

E

D

-

H

A

T

F

F

L

P

D

S

Y
|
Y

R
|
R

K

K

Q

T

D

L

R

L

R

G

P

P

G

E

E

E

F

I

V
x
L

E

L

G

S

V

I

T

E

L

I

P

P

K

Y

S

S

A

R

P

E

E

D

-

E

-

F

L

F

R

S

C

A

Y

F

K

K

L

Q

S

A

K

S

R

R

F

R

D

E

Q

D

D
|
D

I
|
I

S

A

S

K

V

V

C

T

V

C

C

G

L

M

N

R

L

V

T

L

L

F

K

Q

G

P

S

G

K

S

I

M

E

Q

S

V

A

K

R

E

A

L

A

A

-

L

-

C

F

Y

G

G

G
|
G

M

M

A
|
A

binding flavin-adenine dinucleotide: G44 (= G42), K228 (≠ T200), L229 (= L201), V230 (≠ I202), V231 (≠ A203), G232 (= G204), N233 (≠ G205), T234 (= T206), E235 (≠ D207), I236 (≠ V208), F309 (= F270), V314 (= V275), A318 (= A279), S319 (≠ T280), G322 (= G283), N323 (= N284), I325 (≠ A286), T326 (≠ N287), S331 (≠ G292), D332 (= D293), L376 (≠ V336)
binding fe2/s2 (inorganic) cluster: G40 (= G38), C41 (= C39), G42 (≠ N40), G44 (= G42), C46 (= C44), G47 (= G45), C49 (= C47), N69 (= N61), C71 (= C63), Q110 (= Q102), C111 (= C103), G112 (= G104), C114 (= C106), C146 (= C134), C148 (= C136)
binding 1,4-dihydronicotinamide adenine dinucleotide: S328 (= S289), P329 (= P290), I330 (= I291), Y365 (= Y325), R366 (= R326), D402 (= D360), I403 (= I361), G430 (= G386), A432 (= A388)

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 fe2/s2 (inorganic) cluster: 708
binding 1,4-dihydronicotinamide adenine dinucleotide: 433, 473, 480, 1189
binding uric acid: 766, 844, 878, 973, 974, 1043, 1225

3am9B Complex of bovine xanthine dehydrogenase and trihydroxy fyx-051 (see paper)
33% identity, 84% coverage: 2:388/462 of query aligns to 3:432/1291 of 3am9B

query
sites
3am9B

E

E

I

L

A

V

F

F

L

F

L

V

N

N

G

G

E

K

T

K

R

V

Q

V

V

E

R

K

I

N

D

A

D

D

P

P

T

E

Q

T

S

T

L

L

D

A

W

Y

L

L

R

R

A

R

E

K

-

L

G

G

L

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

N
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

M

M

V

L

-

S

-

K

-

Y

-

D

-

R

-

L

R

Q

D

D

A

K

S

I

G

I

S

H

R

F

A

S

V

A

N

N

A

A

C
|
C

L

L

T

A

M

P

M

I

P

C

Q

T

V

L

A

H

G

H

K

V

A

A

L

V

R

T

T

T

V

V

E

E

G

G

I

I

A

G

A

S

P

T

D

K

G

T

T

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R