SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_047214639.1 NCBI__GCF_001931675.1:WP_047214639.1 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)
48% identity, 96% coverage: 6:477/493 of query aligns to 3:442/450 of 2w54A

query
sites
2w54A

I

I

R

A

F

F

Y

L

F

L

R

N

G

G

Q

E

V

T

H

R

E

R

V

V

T

R

G

I

Q

E

P

D

T

P

T

T

R

Q

T

S

V

L

L

L

Q

E

H

W

I

L

R

R

E

A

D

E

L

-

H

G

C

L

T

T

G

G

T

T

K

K

E

E

G
|
G

C
|
C

A
x
N

E

E

G
|
G

D

D

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

I

G

-

E

-

L

-

D

-

Q

-

R

R

G

D

E

A

V

A

E

G

L

S

R

R

A

A

V

V

N

N

A

A

C
|
C

I

L

Q

M

F

M

L

L

P

P

T

Q

L

I

D

A

G

G

K

K

A

A

L

L

Y

R

T

T

V

I

E

E

D

G

L

I

R

A

Q

A

P

P

D

D

G

G

A

R

L

L

H

H

P

P

V

V

Q

Q

A

A

M

M

V

I

D

D

C

H

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

M

V

S

S

M

M

W

A

G

A

M

A

Y

H

L

-

N

D

R

R

D

D

P

-

A

-

L

-

P

-

K

-

P

-

T

-

R

R

E

K

E

D

I

Y

N

D

D

D

V

L

L

L

S

A

G

G

N

N

L

L

C
|
C

R
|
R

C
|
C

T

T

G

G

Y

Y

R

A

P

P

I

I

V

L

D

R

A

A

Q

E

A

A

M

A

F

A

D

G

L

E

P

P

R

P

A

A

E

D

F

W

D

-

R

-

Q

-

A

-

L

-

A

-

T

-

I

-

L

-

K

-

G

-

L

L

A

Q

R

A

Q

D

D

A

A

A

L

F

T

T

Y

L

Q

P

A

A

G

-

N

-

Q

-

V

-

F

-

H

F

A

L

P

P

R

E

T

T

L

S

A

D

Q

A

L

L

A

A

E

D

L

W

R

Y

A

L

S

A

H

H

P

P

E

E

A

A

R

T

I
x
L

L

I

A
|
A

G
|
G

S
x
G

T
|
T

D
|
D

V
|
V

G

S

L

L

W
|
W

V

V

T

T

K

K

Q

A

F

L

R

R

E

D

L

L

Q

P

H

E

L

V

I

A

Y

F

I
x
L

G

S

Q

H

V

C

A

K

E

D

L

L

R

A

E

Q

L

I

T

R

R

E

D

T

D

P

G

D

H

G

L

Y

Y

G

I

I

G

G

A

A

G

G

V

V

L

T

L

I

N

A

D

-

A

A

F

L

D

R

A

A

L

F

V

A

E

E

H

G

-

P

Y

H

G

P

E

A

L

L

A

A

E

G

M

L

R

L

Q

R

R

R

F
|
F

A
|
A

S

S

F

E

P

Q

I

V

R

R

N

Q

A

V

G
x
A

T
|
T

L

I

G

G

G
|
G

N
|
N

V

I

A
|
A

N
|
N

G

G

S

S

P

P

I

I

G
|
G

D
|
D

S

G

M

P

P

P

G

A

L

L

I

I

A

A

L

M

G

G

T

A

R

S

I

L

V

T

L

L

R

R

G

G

E

Q

R

E

V

R

R

R

D

R

M

M

P

P

L

L

E

E

D

D

F

F

Y

F

L

L

A

E

Y

Y

Q

R

K

K

N

Q

A

D

L
x
R

E

R

P

P

G

G

E

E

F

F

V
|
V

Q

E

G

S

I

-

R

-

V

V

P

T

L

L

P

P

A

K

A

S

A

A

Q

P

R

G

F

L

R

R

T

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

A

A

V

V

C

C

A

G

A

C

F

L

A

N

I

L

T

T

L

L

D

K

G

G

D

S

T

K

V

I

R

E

S

T

A

A

R

R

I

I

A

A

F

F

G

G

M

M

A

A

A

G

T

V

P

P

K

K

R

R

A

A

A

F

E

E

Q

A

A

A

L

L

A

I

G

G

K

Q

P

D

W

F

N

R

E

E

A

D

N

T

A

I

R

A

L

A

A

A

M

L

A

P

A

L

L

L

A

A

Q

Q

D

D

Y

F

A

T

P

P

L

L

A

S

D

D

M

M

R

R

A

A

S

S

S

A

T

A

Y

Y

R

R

L

M

S

N

A

A

Q

Q

N

A

L

M

L

A

Y

L

R

R

F

Y

F

V

L

R

E

E

T

L

R

S

P

G

D

E

A

A

binding flavin-adenine dinucleotide: G42 (= G46), L189 (≠ I222), A191 (= A224), G192 (= G225), G193 (≠ S226), T194 (= T227), D195 (= D228), V196 (= V229), W199 (= W232), L213 (≠ I246), F258 (= F291), A259 (= A292), A267 (≠ G300), T268 (= T301), G271 (= G304), N272 (= N305), A274 (= A307), N275 (= N308), G280 (= G313), D281 (= D314), R318 (≠ L351), V324 (= V357), Q347 (= Q382)
binding fe2/s2 (inorganic) cluster: G38 (= G42), C39 (= C43), N40 (≠ A44), G42 (= G46), C44 (= C48), G45 (= G49), C47 (= C51), C63 (= C72), C103 (= C112), G104 (= G113), C106 (= C115), C134 (= C151), R135 (= R152), C136 (= C153)
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 (= Q111), C136 (= C153)

1jroA Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus (see paper)
48% identity, 96% coverage: 6:477/493 of query aligns to 3:442/450 of 1jroA

query
sites
1jroA

I

I

R

A

F

F

Y

L

F

L

R

N

G

G

Q

E

V

T

H

R

E

R

V

V

T

R

G

I

Q

E

P

D

T

P

T

T

R

Q

T

S

V

L

L

L

Q

E

H

L

I

L

R

R

E

A

D

E

L

-

H

G

C

L

T

T

G

G

T

T

K

K

E
|
E

G
|
G

C
|
C

A
x
N

E

E

G
|
G

D
|
D

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

I

G

-

E

-

L

-

D

-

Q

-

R

R

G

D

E

A

V

A

E

G

L

S

R

R

A

A

V

V

N

N

A

A

C
|
C

I

L

Q

M

F

M

L

L

P

P

T

Q

L

I

D

A

G

G

K

K

A

A

L

L

Y

R

T

T

V

I

E

E

D

G

L

I

R

A

Q

A

P

P

D

D

G

G

A

R

L

L

H

H

P

P

V

V

Q

Q

A

A

M

M

V

I

D

D

C

H

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

M

V

S

S

M

M

W

A

G

A

M

A

Y

H

L

-

N

D

R

R

D

D

P

-

A

-

L

-

P

-

K

-

P

-

T

-

R

R

E

K

E

D

I

Y

N

D

D

D

V

L

L

L

S

A

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

A

P

P

I

I

V

L

D

R

A

A

Q

E

A

A

M

A

F

A

D

G

L

E

P

P

R

P

A

A

E

D

F

W

D

-

R

-

Q

-

A

-

L

-

A

-

T

-

I

-

L

-

K

-

G

-

L

L

A

Q

R

A

Q

D

D

A

A

A

L

F

T

T

Y

L

Q

P

A

A

G

-

N

-

Q

-

V

-

F

-

H

F

A

L

P

P

R

E

T

T

L

S

A

D

Q

A

L

L

A

A

E

D

L

W

R

Y

A

L

S

A

H

H

P

P

E

E

A

A

R

T

I
x
L

L

I

A
|
A

G
|
G

S
x
G

T
|
T

D
|
D

V
|
V

G

S

L

L

W

W

V

V

T

T

K

K

Q

A

F

L

R

R

E

D

L

L

Q

P

H

E

L

V

I

A

Y

F

I

L

G

S

Q

H

V

C

A

K

E

D

L

L

R

A

E

Q

L

I

T

R

R

E

D

T

D

P

G

D

H

G

L

Y

Y

G

I

I

G

G

A

A

G

G

V

V

L

T

L

I

N

A

D

-

A

A

F

L

D

R

A

A

L

F

V

A

E

E

H

G

-

P

Y

H

G

P

E

A

L

L

A

A

E

G

M

L

R

L

Q

R

R

R

F
|
F

A
|
A

S

S

F

E

P

Q

I

V

R

R

N

Q

A

V

G

A

T
|
T

L

I

G

G

G
|
G

N
|
N

V

I

A
|
A

N

N

G

G

S

S

P

P

I

I

G
|
G

D
|
D

S

G

M

P

P

P

G

A

L

L

I

I

A

A

L

M

G

G

T

A

R

S

I

L

V

T

L

L

R

R

G

G

E

Q

R

E

V

R

R

R

D

R

M

M

P

P

L

L

E

E

D

D

F

F

Y

F

L

L

A

E

Y

Y

Q

R

K

K

N

Q

A

D

L
x
R

E

R

P

P

G

G

E

E

F

F

V
|
V

Q

E

G

S

I

-

R

-

V

V

P

T

L

L

P

P

A

K

A

S

A

A

Q

P

R

G

F

L

R

R

T

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

A

A

V

V

C

C

A

G

A

C

F

L

A

N

I

L

T

T

L

L

D

K

G

G

D

S

T

K

V

I

R

E

S

T

A

A

R

R

I

I

A

A

F

F

G

G

M

M

A

A

A

G

T

V

P

P

K

K

R

R

A

A

A

F

E

E

Q

A

A

A

L

L

A

I

G

G

K

Q

P

D

W

F

N

R

E

E

A

D

N

T

A

I

R

A

L

A

A

A

M

L

A

P

A

L

L

L

A

A

Q

Q

D

D

Y

F

A

T

P

P

L

L

A

S

D

D

M

M

R

R

A

A

S

S

S

A

T

A

Y

Y

R

R

L

M

S

N

A

A

Q

Q

N

A

L

M

L

A

Y

L

R

R

F

Y

F

V

L

R

E

E

T

L

R

S

P

G

D

E

A

A

binding flavin-adenine dinucleotide: G42 (= G46), D43 (= D47), L189 (≠ I222), A191 (= A224), G192 (= G225), G193 (≠ S226), T194 (= T227), D195 (= D228), V196 (= V229), F258 (= F291), A259 (= A292), T268 (= T301), G271 (= G304), N272 (= N305), A274 (= A307), G280 (= G313), D281 (= D314), R318 (≠ L351), V324 (= V357)
binding fe2/s2 (inorganic) cluster: E37 (= E41), G38 (= G42), C39 (= C43), N40 (≠ A44), G42 (= G46), C44 (= C48), G45 (= G49), C47 (= C51), C63 (= C72), C103 (= C112), C106 (= C115), C134 (= C151), C136 (= C153)

3ax7A Bovine xanthine oxidase, protease cleaved form (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 7:462/1225 of 3ax7A

query
sites
3ax7A

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N
|
N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

-

Q

-

A

-

M

-

F

-

D

-

L

-

P

-

R

-

A

-

E

-

F

-

D

-

R

-

Q

-

A

-

L

-

A

-

T

-

I

-

L

F

K

R

G

T

L

F

A

A

R

K

Q

P

D

K

A

Q

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R
x
K

I
x
L

L
x
V

A
x
V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A
|
A

S

G

F

K

P

Q

I
x
V

R

K

N

S

A

V

G
x
A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y

Y

Q

R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F

I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

A

D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R

P

A

G

S

G

S

M

T

I

-

E

Y

F

R

R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: G45 (= G46), K197 (≠ R221), L198 (≠ I222), V199 (≠ L223), V200 (≠ A224), G201 (= G225), N202 (≠ S226), T203 (= T227), E204 (≠ D228), I205 (≠ V229), F278 (= F291), A279 (= A292), V283 (≠ I296), A287 (≠ G300), S288 (≠ T301), G291 (= G304), N292 (= N305), I294 (≠ A307), T295 (≠ N308), S300 (≠ G313), D301 (= D314), L345 (≠ V357)
binding fe2/s2 (inorganic) cluster: G41 (= G42), C42 (= C43), G43 (≠ A44), G45 (= G46), C47 (= C48), G48 (= G49), C50 (= C51), N70 (= N70), C72 (= C72), C112 (= C112), G113 (= G113), C115 (= C115), C147 (= C151), C149 (= C153)
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: Q111 (= Q111), C149 (= C153)

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 fe2/s2 (inorganic) cluster: 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: 695, 696, 697, 698, 810, 811, 937, 938, 939, 977, 978, 979, 981, 1093, 1160

1n5xA Xanthine dehydrogenase from bovine milk with inhibitor tei-6720 bound (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1290 of 1n5xA

query
sites
1n5xA

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N

N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

-

R

L

L

K

K

G

D

L

V

A

P

R

P

Q

K

D

Q

A

-

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R

K

I
x
L

L

V

A
x
V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A
|
A

S

G

F

K

P

Q

I

V

R

K

N

S

A

V

G
x
A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G

S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y

Y

Q

R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F

I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

A

D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R

P

A

G

S

G

S

M

T

I

-

E

Y

F

R

R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: E43 (= E45), G44 (= G46), L229 (≠ I222), V231 (≠ A224), G232 (= G225), N233 (≠ S226), T234 (= T227), E235 (≠ D228), I236 (≠ V229), F309 (= F291), A310 (= A292), A318 (≠ G300), S319 (≠ T301), G322 (= G304), N323 (= N305), I325 (≠ A307), T326 (≠ N308), D332 (= D314), L376 (≠ V357)
binding fe2/s2 (inorganic) cluster: G40 (= G42), C41 (= C43), G42 (≠ A44), G44 (= G46), C46 (= C48), G47 (= G49), C49 (= C51), C71 (= C72), Q110 (= Q111), C111 (= C112), G112 (= G113), C114 (= C115), C146 (= C151), C148 (= C153)

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)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1291 of 3amzA

query
sites
3amzA

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N

N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

-

R

L

L

K

K

G

D

L

V

A

P

R

P

Q

K

D

Q

A

-

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R

K

I
x
L

L
x
V

A
x
V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A

A

S

G

F

K

P

Q

I

V

R

K

N

S

A

V

G
x
A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S
|
S

P
|
P

I
|
I

G
x
S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y
|
Y

Q
x
R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F
x
I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

G
|
G

M

M

A
|
A

A
x
D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R
x
P

A

G

S

G

S

M

T

I

-

E

Y

F

R
|
R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: G44 (= G46), L229 (≠ I222), V230 (≠ L223), V231 (≠ A224), G232 (= G225), N233 (≠ S226), T234 (= T227), E235 (≠ D228), I236 (≠ V229), F309 (= F291), A318 (≠ G300), S319 (≠ T301), G322 (= G304), N323 (= N305), I325 (≠ A307), T326 (≠ N308), S331 (≠ G313), D332 (= D314), I375 (≠ F356), L376 (≠ V357)
binding fe2/s2 (inorganic) cluster: G40 (= G42), C41 (= C43), G42 (≠ A44), G44 (= G46), C46 (= C48), G47 (= G49), C49 (= C51), C71 (= C72), Q110 (= Q111), C111 (= C112), G112 (= G113), C114 (= C115), C146 (= C151), C148 (= C153)
binding 1,4-dihydronicotinamide adenine dinucleotide: S328 (= S310), P329 (= P311), I330 (= I312), Y365 (= Y346), R366 (≠ Q347), D402 (= D383), I403 (= I384), G430 (= G409), A432 (= A411), D433 (≠ A412), P473 (≠ R452), R480 (= R458)

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: 1189
binding uric acid: 766, 844, 878, 973, 974, 1043, 1225

3amzB Bovine xanthine oxidoreductase urate bound form (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1289 of 3amzB

query
sites
3amzB

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N
|
N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

-

R

L

L

K

K

G

D

L

V

A

P

R

P

Q

K

D

Q

A

-

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R
x
K

I
x
L

L
x
V

A
x
V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A

A

S

G

F

K

P

Q

I
x
V

R

K

N

S

A

V

G
x
A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S
|
S

P
|
P

I
|
I

G
x
S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y
|
Y

Q
x
R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F

I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

G
|
G

M

M

A
|
A

A
x
D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R
x
P

A

G

S

G

S

M

T

I

-

E

Y

F

R
|
R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: G44 (= G46), K228 (≠ R221), L229 (≠ I222), V230 (≠ L223), V231 (≠ A224), G232 (= G225), N233 (≠ S226), T234 (= T227), E235 (≠ D228), I236 (≠ V229), F309 (= F291), V314 (≠ I296), A318 (≠ G300), S319 (≠ T301), G322 (= G304), N323 (= N305), I325 (≠ A307), T326 (≠ N308), S331 (≠ G313), D332 (= D314), L376 (≠ V357)
binding fe2/s2 (inorganic) cluster: G40 (= G42), C41 (= C43), G42 (≠ A44), G44 (= G46), C46 (= C48), G47 (= G49), C49 (= C51), N69 (= N70), C71 (= C72), Q110 (= Q111), C111 (= C112), G112 (= G113), C114 (= C115), C146 (= C151), C148 (= C153)
binding 1,4-dihydronicotinamide adenine dinucleotide: S328 (= S310), P329 (= P311), I330 (= I312), Y365 (= Y346), R366 (≠ Q347), D402 (= D383), I403 (= I384), G430 (= G409), A432 (= A411), D433 (≠ A412), P473 (≠ R452), R480 (= R458)

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: 1189
binding uric acid: 766, 844, 878, 973, 974, 1043, 1225

3am9B Complex of bovine xanthine dehydrogenase and trihydroxy fyx-051 (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1291 of 3am9B

query
sites
3am9B

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E

E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N

N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

-

R

L

L

K

K

G

D

L

V

A

P

R

P

Q

K

D

Q

A

-

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R

K

I
x
L

L
x
V

A

V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A

A

S

G

F

K

P

Q

I

V

R

K

N

S

A

V

G

A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y

Y

Q

R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F
x
I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

A

D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R

P

A

G

S

G

S

M

T

I

-

E

Y

F

R

R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: G44 (= G46), L229 (≠ I222), V230 (≠ L223), G232 (= G225), N233 (≠ S226), T234 (= T227), E235 (≠ D228), I236 (≠ V229), F309 (= F291), S319 (≠ T301), G322 (= G304), N323 (= N305), I325 (≠ A307), T326 (≠ N308), S331 (≠ G313), D332 (= D314), I375 (≠ F356), L376 (≠ V357)
binding fe2/s2 (inorganic) cluster: G40 (= G42), C41 (= C43), G42 (≠ A44), G44 (= G46), C46 (= C48), G47 (= G49), C49 (= C51), C71 (= C72), Q110 (= Q111), C111 (= C112), G112 (= G113), C114 (= C115), C146 (= C151), C148 (= C153)

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: 705, 707, 800, 801, 831, 834, 835, 836, 838, 871, 872
binding fe2/s2 (inorganic) cluster: 708
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: 766, 837, 844, 878, 973, 975, 978, 1043, 1225

1v97A Crystal structure of bovine milk xanthine dehydrogenase fyx-051 bound form (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1298 of 1v97A

query
sites
1v97A

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N

N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F

-

P

-

E

-

L

-

R

L

L

K

K

G

D

L

V

A

P

R

P

Q

K

D

Q

A

-

L

L

T

R

Y

F

Q

E

A

G

G

E

N

R

Q

V

V

T

F

W

H

I

A

Q

P

A

R

S

T

T

L

L

A

K

Q

E

L

L

A

L

E

D

L

L

R

K

A

A

S

Q

H

H

P

P

E

E

A

A

R
x
K

I
x
L

L
x
V

A
x
V

G
|
G

S
x
N

T
|
T

D
x
E

V
x
I

G

G

L

I

W

E

V

M

T

K

K

F

Q

K

F

N

R

Q

E

L

L

F

Q

P

H

M

L

I

I

I

Y

C

I

P

G

A

Q

W

V

I

A

P

E

E

L

L

R

N

E

A

L

V

T

E

R

H

D

G

D

P

G

E

H

G

L

I

Y

S

I

F

G

G

A

A

G

A

V

C

L

A

L

L

N

S

D

S

A

V

F

E

D

K

A

T

L

L

V

L

E

E

H

A

Y

V

G

A

E

K

L

L

A

P

-

T

-

Q

-

K

-

T

-

E

-

V

-

F

-

R

-

G

-

V

-

L

E

E

M

Q

R

L

Q

R

R

W

F
|
F

A
|
A

S

G

F

K

P

Q

I

V

R

K

N

S

A

V

G
x
A

T
x
S

L

L

G

G

G
|
G

N
|
N

V

I

A
x
I

N
x
T

G

A

S

S

P

P

I

I

G
x
S

D
|
D

S

L

M

N

P

P

G

V

L

F

I

M

A

A

L

S

G

G

T

T

R

K

I

L

-

T

V

I

L

V

R

S

R

R

G

G

E

T

R

R

V

-

R

R

D

T

M

V

P

P

L

M

E

D

D

H

-

T

F

F

Y

F

L

P

A

S

Y

Y

Q

R

K

K

N

T

A

L

L

L

E

G

P

P

G

E

E

E

F
x
I

V
x
L

Q

L

G

S

I

I

R

E

V

I

P

P

L

Y

P

S

A

R

A

E

A

D

Q

E

R

F

F

F

R

S

T

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

A

K

V

V

C

T

A

C

A

G

F

M

A

R

I

V

T

L

L

F

D

Q

G

P

D

G

T

S

V

M

R

Q

S

V

A

K

R

E

I

L

A

A

-

L

-

C

F

Y

G

G

M

M

A

A

A

D

T

R

P

T

K

I

R

S

A

A

A

L

A

K

A

T

E

T

Q

Q

A

K

L

Q

A

L

G

S

K

K

P

F

W

W

N

N

E

E

A

K

N

L

A

L

R

Q

L

D

A

V

M

C

A

A

A

G

L

L

A

A

Q

E

D

E

Y

L

A

S

P

L

L

S

A

P

D

D

M

A

R

P

A

G

S

G

S

M

T

I

-

E

Y

F

R

R

L

R

S

T

A

L

A

T

Q

L

N

S

L

F

Y

F

R

K

F

F

F

Y

L

L

binding flavin-adenine dinucleotide: E43 (= E45), G44 (= G46), K228 (≠ R221), L229 (≠ I222), V230 (≠ L223), V231 (≠ A224), G232 (= G225), N233 (≠ S226), T234 (= T227), E235 (≠ D228), I236 (≠ V229), F309 (= F291), A310 (= A292), A318 (≠ G300), S319 (≠ T301), G322 (= G304), N323 (= N305), I325 (≠ A307), T326 (≠ N308), S331 (≠ G313), D332 (= D314), I375 (≠ F356), L376 (≠ V357)
binding fe2/s2 (inorganic) cluster: G40 (= G42), C41 (= C43), G42 (≠ A44), G44 (= G46), C46 (= C48), G47 (= G49), C49 (= C51), C71 (= C72), Q110 (= Q111), C111 (= C112), G112 (= G113), C114 (= C115), C146 (= C151), C148 (= C153)

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

1vdvA Bovine milk xanthine dehydrogenase y-700 bound form (see paper)
30% identity, 94% coverage: 8:471/493 of query aligns to 6:493/1299 of 1vdvA

query
sites
1vdvA

F

F

Y

F

F

V

R

N

G

G

Q

K

-

K

V

V

H

V

E

E

V

K

T

N

G

A

Q

D

P

P

T

E

T

T

R

-

T

T

V

L

L

L

Q

A

H

Y

I

L

R

R

E

R

D

K

L

L

H

G

C

L

T

R

G

G

T

T

K

K

E

L

G
|
G

C
|
C

A
x
G

E
|
E

G
|
G

D

G

C
|
C

G
|
G

A

A

C
|
C

T

T

V

V

V

M

I

L

G

S

E

K

L

Y

D

D

Q

R

-

L

R

Q

G

D

E

K

V

I

E

I

L

H

R

F

A

S

V

A

N

N

A

A

C
|
C

I

L

Q

A

F

P

L

I

P

C

T

T

L

L

D

H

G

H

K

V

A

A

L

V

Y

T

T

T

V

V

E

E

D

G

L

I

R

G

Q

S

P

T

D

K

G

T

A

R

L

L

H

H

P

P

V

V

Q

Q

Q

E

A

R

M

I

V

A

D

K

C

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

M

M

S

S

M

M

W

Y

G

T

M

L

Y

L

L

R

N

N

R

Q

D

-

P

-

A

-

L

-

P

P

K

E

P

P

T

T

R

V

E

E

I

I

N

E

D

D

V

A

L

F

S

Q

G

G

N

N

L

L

C
|
C

R

R

C
|
C

T

T

G

G

Y

Y

R

R

P

P

I

I

V

L

D

Q

A

G

A

F

Q

R

A

T

M

F

F

A

D

K

L

S

P

P

R

-

A

S

E

L

F

F

D

N

R

P

Q

E

A

E

L

F

A

M

T

P

I

L

-

D

-

P

-

T

-

Q

-

E

-

P

-

I

-

F