SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_037569439.1 NCBI__GCF_000744815.1:WP_037569439.1 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)

6gmcA 1.2 a resolution structure of human hydroxyacid oxidase 1 bound with fmn and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole
38% identity, 89% coverage: 6:358/395 of query aligns to 3:335/360 of 6gmcA

query
sites
6gmcA

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V
x
M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

S

V

T

P

L

N

S

L
x
F

A

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F
x
L

G

A

A

A

Y
|
Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y132 (= Y132), D160 (= D160), H258 (= H281)
binding 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate: Y26 (≠ A29), M82 (≠ V85), W110 (≠ F112), Y132 (= Y132), R167 (= R177), F191 (≠ L214), L203 (≠ F226), Y206 (= Y229), H258 (= H281), R261 (≠ N284)
binding flavin mononucleotide: Y26 (≠ A29), Y27 (≠ L30), A79 (≠ P82), T80 (= T83), A81 (≠ G84), S108 (= S110), Q130 (= Q130), Y132 (= Y132), T158 (= T158), K234 (= K257), H258 (= H281), G259 (= G282), R261 (≠ N284), D289 (= D312), G290 (= G313), R293 (= R316), G312 (= G335), R313 (= R336)

2rduA Crystal structure of human glycolate oxidase in complex with glyoxylate (see paper)
38% identity, 89% coverage: 6:358/395 of query aligns to 1:335/360 of 2rduA

query
sites
2rduA

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: S106 (= S110), Y130 (= Y132), T156 (= T158), D158 (= D160), K234 (= K257), H258 (= H281)
binding flavin mononucleotide: Y24 (≠ A29), Y25 (≠ L30), A77 (≠ P82), T78 (= T83), A79 (≠ G84), S106 (= S110), Q128 (= Q130), Y130 (= Y132), T156 (= T158), K234 (= K257), H258 (= H281), G259 (= G282), R261 (≠ N284), D289 (= D312), G290 (= G313), G291 (= G314), R293 (= R316), G312 (= G335), R313 (= R336)
binding glyoxylic acid: Y24 (≠ A29), W108 (≠ F112), Y130 (= Y132), R165 (= R177), H258 (= H281), R261 (≠ N284)

Q9UJM8 2-Hydroxyacid oxidase 1; HAOX1; Glycolate oxidase; GO; GOX; Glyoxylate oxidase; EC 1.1.3.15; EC 1.2.3.5 from Homo sapiens (Human) (see 2 papers)
38% identity, 89% coverage: 6:358/395 of query aligns to 3:337/370 of Q9UJM8

query
sites
Q9UJM8

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L

Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D

D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S
|
S

N

N

H
|
H

G

G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

V
|
V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

Y26 (≠ A29) binding glyoxylate
ATA 79:81 (≠ PTG 82:84) binding FMN
S108 (= S110) binding FMN
Q130 (= Q130) binding FMN
Y132 (= Y132) binding glyoxylate
T158 (= T158) binding FMN
R167 (= R177) binding glyoxylate
K236 (= K257) binding FMN
S258 (= S279) binding FMN
H260 (= H281) binding glyoxylate
R263 (≠ N284) binding glyoxylate
DGGVR 291:295 (= DGGVR 312:316) binding FMN
GR 314:315 (= GR 335:336) binding FMN

6gmbA Structure of human hydroxyacid oxidase 1 bound with fmn and glycolate
38% identity, 89% coverage: 6:358/395 of query aligns to 3:337/362 of 6gmbA

query
sites
6gmbA

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y132 (= Y132), D160 (= D160), H260 (= H281)
binding flavin mononucleotide: Y26 (≠ A29), Y27 (≠ L30), A79 (≠ P82), T80 (= T83), A81 (≠ G84), S108 (= S110), Q130 (= Q130), Y132 (= Y132), K236 (= K257), H260 (= H281), G261 (= G282), R263 (≠ N284), D291 (= D312), G292 (= G313), G293 (= G314), R295 (= R316), G314 (= G335), R315 (= R336)
binding glycolic acid: Y26 (≠ A29), W110 (≠ F112), Y132 (= Y132), R167 (= R177), H260 (= H281), R263 (≠ N284)

5qigA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z1407672867
38% identity, 88% coverage: 10:358/395 of query aligns to 4:334/359 of 5qigA

query
sites
5qigA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R
|
R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G
|
G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A
x
F

N

Q

G

G

Q

E

A
x
K

G

G

V

V

E

Q

N
x
D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y129 (= Y132), D157 (= D160), H257 (= H281)
binding flavin mononucleotide: Y23 (≠ A29), Y24 (≠ L30), A76 (≠ P82), T77 (= T83), A78 (≠ G84), S105 (= S110), Q127 (= Q130), Y129 (= Y132), T155 (= T158), K233 (= K257), H257 (= H281), G258 (= G282), R260 (≠ N284), D288 (= D312), G289 (= G313), G290 (= G314), R292 (= R316), G311 (= G335), R312 (= R336)
binding 2-cyclopropyl-1~{H}-imidazole-4-carboxamide: R223 (= R247), G248 (= G272), F320 (≠ A344), K324 (≠ A348), D328 (≠ N352)

Sites not aligning to the query:

binding 2-cyclopropyl-1~{H}-imidazole-4-carboxamide: 2

5qifA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z31792168
38% identity, 88% coverage: 10:358/395 of query aligns to 4:334/359 of 5qifA

query
sites
5qifA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R
|
R

E
x
R

E

L

W

T

G
x
S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y129 (= Y132), D157 (= D160), H257 (= H281)
binding flavin mononucleotide: Y23 (≠ A29), Y24 (≠ L30), A76 (≠ P82), T77 (= T83), A78 (≠ G84), S105 (= S110), Q127 (= Q130), Y129 (= Y132), K233 (= K257), H257 (= H281), G258 (= G282), R260 (≠ N284), D288 (= D312), G289 (= G313), R292 (= R316), G311 (= G335), R312 (= R336)
binding 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide: R223 (= R247), R224 (≠ E248), S227 (≠ G251)

2rdwA Crystal structure of human glycolate oxidase in complex with sulfate (see paper)
38% identity, 88% coverage: 10:358/395 of query aligns to 4:334/359 of 2rdwA

query
sites
2rdwA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

E

R

E

G

N

A

F

A

G

G

D

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: S105 (= S110), Y129 (= Y132), T155 (= T158), D157 (= D160), K233 (= K257), H257 (= H281)
binding flavin mononucleotide: Y23 (≠ A29), Y24 (≠ L30), A76 (≠ P82), T77 (= T83), A78 (≠ G84), Q127 (= Q130), Y129 (= Y132), T155 (= T158), K233 (= K257), H257 (= H281), G258 (= G282), R260 (≠ N284), D288 (= D312), G289 (= G313), R292 (= R316), G311 (= G335), R312 (= R336)
binding sulfate ion: Y23 (≠ A29), W107 (≠ F112), R164 (= R177), H257 (= H281), R260 (≠ N284)

5qieA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2856434894
38% identity, 88% coverage: 10:358/395 of query aligns to 4:328/353 of 5qieA

query
sites
5qieA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L

M

P

K

D

N

L

F

T

E

V

T

P

S

N

T

L

L

A

S

-

F

-

S

P

P

E

D

R

S

G

G

A

L

A

A

G

-

P

-

T

-

F

-

G

-

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N
x
D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y129 (= Y132), D157 (= D160), H251 (= H281)
binding flavin mononucleotide: Y23 (≠ A29), Y24 (≠ L30), A76 (≠ P82), T77 (= T83), A78 (≠ G84), S105 (= S110), Q127 (= Q130), Y129 (= Y132), K227 (= K257), H251 (= H281), G252 (= G282), R254 (≠ N284), D282 (= D312), G283 (= G313), R286 (= R316), G305 (= G335), R306 (= R336)
binding ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline: D322 (≠ N352)

Sites not aligning to the query:

binding ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline: 3

7r4nA Structure of human hydroxyacid oxidase 1 bound with 5-bromo-n-methyl- 1h-indazole-3-carboxamide
37% identity, 89% coverage: 6:358/395 of query aligns to 2:327/352 of 7r4nA

query
sites
7r4nA

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V
x
M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T
|
T

L

V

D

D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R
|
R

L

L

D

D

-

D

L

V

R

R

T

N

A

R

V

F

R

K

F

L

A

P

P

P

D

Q

V

L

L

-

P

-

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

R

R

L
x
M

P

K

D

N

L

F

T

S

V

T

P

L

N

S

L

F

A

S

P

D

E

-

R

-

G

-

A

-

G

-

P

-

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

binding 5-bromanyl-N-methyl-1H-indazole-3-carboxamide: Y25 (≠ A29), A80 (≠ G84), M81 (≠ V85), W109 (≠ F112), Y131 (= Y132), R166 (= R177), M182 (≠ L206), H250 (= H281), R253 (≠ N284)
binding flavin mononucleotide: Y25 (≠ A29), Y26 (≠ L30), A78 (≠ P82), T79 (= T83), A80 (≠ G84), S107 (= S110), W109 (≠ F112), Q129 (= Q130), Y131 (= Y132), T157 (= T158), K226 (= K257), H250 (= H281), G251 (= G282), R253 (≠ N284), D281 (= D312), G282 (= G313), R285 (= R316), G304 (= G335), R305 (= R336)

7r4oA Structure of human hydroxyacid oxidase 1 bound with 2-((4h-1,2,4- triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
39% identity, 89% coverage: 6:358/395 of query aligns to 1:316/341 of 7r4oA

query
sites
7r4oA

P

P

W

R

F

L

E

I

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A

Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S
x
Y

G
x
K

S
x
D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D

D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

-

V

-

R

R

F

F

A

K

P

-

D

-

V

-

L

L

P

P

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

L

-

P

P

D

Q

L

L

T

R

V

M

P

K

N
|
N

L

L

A

A

P

-

E

-

R

-

G

-

A

-

G

-

P

-

T

-

F

-

G

-

A

A

Y

Y

G

V

E

A

W
x
K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

binding flavin mononucleotide: Y25 (≠ L30), A77 (≠ P82), T78 (= T83), A79 (≠ G84), S106 (= S110), Q128 (= Q130), Y130 (= Y132), K215 (= K257), H239 (= H281), G240 (= G282), R242 (≠ N284), D270 (= D312), G271 (= G313), R274 (= R316), G293 (= G335), R294 (= R336)
binding 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one: Y132 (≠ S134), K133 (≠ G135), D134 (≠ S136), N183 (= N213), K190 (≠ W232)

5qihA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2697514548
39% identity, 88% coverage: 10:358/395 of query aligns to 4:319/344 of 5qihA

query
sites
5qihA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R

T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V
x
M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F
x
W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

-

V

-

R

R

F

F

A

K

P

-

D

-

V

-

L

L

P

P

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

L

-

P

P

D

Q

L

L

T

R

V
x
M

P

K

N

N

L

F

A

-

P

-

E

-

R

-

G

-

A

-

G

-

P

D

T

S

F

G

F
x
L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W

G

G

L

L

A

A

A

F

N

Q

G

G

Q

E

A

K

G

G

V

V

E

Q

N

D

V

V

L

L

D

E

I

I

L

L

R

K

active site: Y129 (= Y132), D157 (= D160), H242 (= H281)
binding flavin mononucleotide: Y23 (≠ A29), Y24 (≠ L30), A76 (≠ P82), T77 (= T83), A78 (≠ G84), S105 (= S110), Q127 (= Q130), Y129 (= Y132), K218 (= K257), H242 (= H281), G243 (= G282), R245 (≠ N284), D273 (= D312), G274 (= G313), R277 (= R316), G296 (= G335), R297 (= R336)
binding 1-methylindazole-3-carboxamide: Y23 (≠ A29), A78 (≠ G84), M79 (≠ V85), W107 (≠ F112), Y129 (= Y132), M180 (≠ V211), L187 (≠ F226), H242 (= H281)

5qidA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z1787627869
39% identity, 88% coverage: 10:358/395 of query aligns to 4:319/344 of 5qidA

query
sites
5qidA

T

C

V

I

A

N

E

D

A

Y

Q

E

R

Q

R

H

A

A

R

K

R

S

R

V

L

L

P

P

G

K

S

S

V

I

Y

Y

G

D

A
x
Y

L
x
Y

V

R

A

S

G

G

S

A

E

N

R

D

G

E

R

E

T

T

V

L

S

A

D

D

N

N

Q

I

Q

A

A

A

F

F

A

S

E

R

L

W

G

K

F

L

A

Y

P

P

R

R

V

M

V

L

G

R

H

N

H

V

A

A

Q

E

R
x
T

E

D

L

L

S

S

T

T

T

S

V

V

L

L

G

G

V

Q

D

R

C

V

A

S

M

M

P

P

V

I

V

C

I

V

S

G

P
x
A

T
|
T

G
x
A

V

M

Q

Q

A

R

V

M

-

A

H

H

P

V

D

D

G

G

E

E

V

L

A

A

V

T

A

V

R

R

A

A

A

C

A

Q

N

S

R

L

G

G

I

T

P

G

M

M

G

M

L

L

S
|
S

S

S

F

W

A

A

S

T

K

S

P

S

V

I

E

E

V

V

V

A

E

E

A

A

N

G

G

P

N

E

T

A

F

L

-

R

-

W

F

L

Q
|
Q

M

L

Y
|
Y

W

I

S

Y

G

K

S

D

R

R

E

E

Q

V

M

T

V

K

Q

K

R

L

M

V

A

R

R

Q

A

A

R

E

E

K

A

M

G

G

A

Y

K

K

A

A

L

I

I

F

A

V

T

T

L

V

D
|
D

W

-

S

-

F

-

S

-

N

-

G

-

R

-

D

-

W

-

G

-

S

T

P

P

P

Y

I

L

P

G

E

N

R

R

L

L

D

D

-

D

L

V

R

R

T

N

A

-

V

-

R

R

F

F

A

K

P

-

D

-

V

-

L

L

P

P

H

-

P

-

R

-

W

-

L

-

W

-

A

-

F

-

A

-

K

-

D

-

R

-

L

-

P

P

D

Q

L

L

T

R

V

M

P

K

N

N

L

F

A

-

P

-

E

-

R

-

G

-

A

-

G

-

P

D

T

S

F

G

F

L

G

A

A

A

Y

Y

G

V

E

A

W

K

M

A

Q

I

T

D

P

P

P

S

P

I

S

S

W

W

E

E

D

D

V

I

K

K

W

W

L

L

R

R

E

R

E

L

W

T

G

S

G

L

P

P

F

I

L

V

L

A

K
|
K

G

G

V

I

T

L

R

R

I

G

D

D

A

A

R

R

R

E

A

A

V

V

D

K

A

H

G

G

V

L

D

N

A

G

V

I

S

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

N
x
R

N

Q

L

L

D

D

T

G

T

V

P

P

A

A

T

T

I

I

R

D

V

V

L

L

P

P

G

E

I

I

A

V

E

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

L

F

L

L

D
|
D

G
|
G

G

G

V

V

R
|
R

R

K

G

G

G

T

D

D

V

V

A

L

K

K

A

A

V

L

A

A

L

L

G

G

A

A

R

K

A

A

V

V

L

F

I

V

G
|
G

R
|
R

A

P

Y

I

L

V

W

W