SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF481 FitnessBrowser__Phaeo:GFF481 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, 95% coverage: 1:368/388 of query aligns to 2:350/360 of 6gmcA

query
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6gmcA

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active site: Y132 (= Y130), D160 (= D158), H258 (= H276)
binding 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate: Y26 (= Y25), M82 (≠ L81), W110 (≠ M109), Y132 (= Y130), L164 (= L162), R167 (= R165), F191 (≠ T189), L203 (= L221), Y206 (≠ W224), V207 (≠ T225), H258 (= H276), R261 (= R279)
binding flavin mononucleotide: Y26 (= Y25), Y27 (≠ A26), A79 (≠ P78), T80 (≠ V79), A81 (≠ G80), S108 (= S107), Q130 (= Q128), Y132 (= Y130), T158 (= T156), K234 (= K252), H258 (= H276), G259 (= G277), R261 (= R279), D289 (= D307), G290 (≠ S308), G291 (= G309), R293 (= R311), V311 (≠ I329), G312 (= G330), R313 (= R331)

6gmbA Structure of human hydroxyacid oxidase 1 bound with fmn and glycolate
38% identity, 95% coverage: 1:368/388 of query aligns to 2:352/362 of 6gmbA

query
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active site: Y132 (= Y130), D160 (= D158), H260 (= H276)
binding flavin mononucleotide: Y26 (= Y25), Y27 (≠ A26), A79 (≠ P78), T80 (≠ V79), A81 (≠ G80), S108 (= S107), W110 (≠ M109), Q130 (= Q128), Y132 (= Y130), T158 (= T156), K236 (= K252), H260 (= H276), G261 (= G277), R263 (= R279), D291 (= D307), G292 (≠ S308), G293 (= G309), R295 (= R311), V313 (≠ I329), G314 (= G330), R315 (= R331)
binding glycolic acid: Y26 (= Y25), W110 (≠ M109), Y132 (= Y130), R167 (= R165), H260 (= H276), R263 (= R279)

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, 95% coverage: 1:368/388 of query aligns to 2:352/370 of Q9UJM8

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Y26 (= Y25) binding
ATA 79:81 (≠ PVG 78:80) binding
S108 (= S107) binding
Q130 (= Q128) binding
Y132 (= Y130) binding
T158 (= T156) binding
R167 (= R165) binding
K236 (= K252) binding
S258 (= S274) binding
H260 (= H276) binding
R263 (= R279) binding
DGGVR 291:295 (≠ DSGIR 307:311) binding
GR 314:315 (= GR 330:331) binding

2rduA Crystal structure of human glycolate oxidase in complex with glyoxylate (see paper)
38% identity, 95% coverage: 2:368/388 of query aligns to 1:350/360 of 2rduA

query
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2rduA

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E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L

M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D
|
D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R
|
R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

R

P

M

K

K

T

N

I

F

A

E

N

T

L

S

M

T

T

L

K

S

W

F

S

S

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

P

R

E

N

N

F

F

G

G

N

-

I

-

V

-

G

-

H

-

V

-

E

-

G

-

I

-

S

-

D

D

A

D

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I

R

E

R

L

L

W

T

D

S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G

G

A

L

D

N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I
x
V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A

F

M

Q

G

G

Q

E

H

K

G

G

V

V

T

Q

R

D

A

V

L

L

E

E

V

I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

active site: S106 (= S107), Y130 (= Y130), T156 (= T156), D158 (= D158), K234 (= K252), H258 (= H276)
binding flavin mononucleotide: Y24 (= Y25), Y25 (≠ A26), A77 (≠ P78), T78 (≠ V79), A79 (≠ G80), S106 (= S107), Q128 (= Q128), Y130 (= Y130), T156 (= T156), K234 (= K252), H258 (= H276), G259 (= G277), R261 (= R279), D289 (= D307), G290 (≠ S308), G291 (= G309), R293 (= R311), V311 (≠ I329), G312 (= G330), R313 (= R331)
binding glyoxylic acid: Y24 (= Y25), W108 (≠ M109), Y130 (= Y130), R165 (= R165), H258 (= H276), R261 (= R279)

5qigA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z1407672867
38% identity, 93% coverage: 7:368/388 of query aligns to 5:349/359 of 5qigA

query
sites
5qigA

I

I

N

N

D

D

L
x
Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

L

P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

P

R

R

V

M

A

L

V

R

D

N

M

V

A

A

G

E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L

M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M

W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D
|
D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R

R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

R

P

M

K

K

T

N

I

F

A

E

N

T

L

S

M

T

T

L

K

S

W

F

S

S

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

P

R

E

N

N

F

F

G

G

N

-

I

-

V

-

G

-

H

-

V

-

E

-

G

-

I

-

S

-

D

D

A

D

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I
x
R

E

R

L

L

W

T

D
x
S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G
|
G

A

L

D
x
N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I
x
V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A
x
F

M

Q

G

G

Q

E

H
x
K

G

G

V

V

T

Q

R
x
D

A

V

L

L

E

E

V

I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

active site: Y129 (= Y130), D157 (= D158), H257 (= H276)
binding flavin mononucleotide: Y23 (= Y25), Y24 (≠ A26), A76 (≠ P78), T77 (≠ V79), A78 (≠ G80), S105 (= S107), Q127 (= Q128), Y129 (= Y130), T155 (= T156), K233 (= K252), H257 (= H276), G258 (= G277), R260 (= R279), D288 (= D307), G289 (≠ S308), G290 (= G309), R292 (= R311), V310 (≠ I329), G311 (= G330), R312 (= R331)
binding 2-cyclopropyl-1~{H}-imidazole-4-carboxamide: Y8 (≠ L10), R223 (≠ I242), S227 (≠ D246), G248 (= G267), N250 (≠ D269), F320 (≠ A339), K324 (≠ H343), D328 (≠ R347)

Sites not aligning to the query:

binding 2-cyclopropyl-1~{H}-imidazole-4-carboxamide: 1, 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, 93% coverage: 7:368/388 of query aligns to 5:349/359 of 5qifA

query
sites
5qifA

I

I

N

N

D

D

L

Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

L

P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

P

R

R

V

M

A

L

V

R

D

N

M

V

A

A

G

E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L

M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D
|
D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R

R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

R

P

M

K

K

T

N

I

F

A

E

N

T

L

S

M

T

T

L

K

S

W

F

S

S

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

P

R

E

N

N

F

F

G

G

N

-

I

-

V

-

G

-

H

-

V

-

E

-

G

-

I

-

S

-

D

D

A

D

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I
x
R

E
x
R

L

L

W

T

D
x
S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G

G

A

L

D

N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I
x
V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A

F

M

Q

G

G

Q

E

H

K

G

G

V

V

T

Q

R

D

A

V

L

L

E

E

V

I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

active site: Y129 (= Y130), D157 (= D158), H257 (= H276)
binding flavin mononucleotide: Y23 (= Y25), Y24 (≠ A26), A76 (≠ P78), T77 (≠ V79), A78 (≠ G80), S105 (= S107), W107 (≠ M109), Q127 (= Q128), Y129 (= Y130), T155 (= T156), K233 (= K252), H257 (= H276), G258 (= G277), R260 (= R279), D288 (= D307), G289 (≠ S308), G290 (= G309), R292 (= R311), V310 (≠ I329), G311 (= G330), R312 (= R331)
binding 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide: R223 (≠ I242), R224 (≠ E243), S227 (≠ D246)

2rdwA Crystal structure of human glycolate oxidase in complex with sulfate (see paper)
38% identity, 93% coverage: 7:368/388 of query aligns to 5:349/359 of 2rdwA

query
sites
2rdwA

I

I

N

N

D

D

L

Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

L

P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

P

R

R

V

M

A

L

V

R

D

N

M

V

A

A

G

E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L

M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D
|
D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R
|
R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

R

P

M

K

K

T

N

I

F

A

E

N

T

L

S

M

T

T

L

K

S

W

F

S

S

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

P

R

E

N

N

F

F

G

G

N

-

I

-

V

-

G

-

H

-

V

-

E

-

G

-

I

-

S

-

D

D

A

D

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I

R

E

R

L

L

W

T

D

S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G

G

A

L

D

N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I

V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A

F

M

Q

G

G

Q

E

H

K

G

G

V

V

T

Q

R

D

A

V

L

L

E

E

V

I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

active site: S105 (= S107), Y129 (= Y130), T155 (= T156), D157 (= D158), K233 (= K252), H257 (= H276)
binding flavin mononucleotide: Y23 (= Y25), Y24 (≠ A26), A76 (≠ P78), T77 (≠ V79), A78 (≠ G80), S105 (= S107), W107 (≠ M109), Q127 (= Q128), Y129 (= Y130), T155 (= T156), K233 (= K252), H257 (= H276), G258 (= G277), R260 (= R279), D288 (= D307), G289 (≠ S308), G290 (= G309), R292 (= R311), G311 (= G330), R312 (= R331)
binding sulfate ion: Y23 (= Y25), W107 (≠ M109), R164 (= R165), H257 (= H276), R260 (= R279)

P05414 Glycolate oxidase; GAO; GOX; Short chain alpha-hydroxy acid oxidase; EC 1.1.3.15 from Spinacia oleracea (Spinach) (see 4 papers)
37% identity, 96% coverage: 4:376/388 of query aligns to 3:354/369 of P05414

query
sites
P05414

I

I

T

T

N

N

I

V

N

N

D

E

L

Y

K

E

R

A

I

I

Y

A

E

K

R

Q

R

K

V

L

P

P

R

K

M

M

F

V

Y

Y

D

D

Y
|
Y

A

Y

E

A

S

S

G

G

S

A

W

E

T

D

E

Q

Q

W

T

T

F

L

R

A

D

E

N

N

T

R

N

N

D

A

F

F

E

S

K

R

I

I

R

L

L

F

R

R

Q

P

R

R

V

I

A

L

V

I

D

D

M

V

A

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G

N

R

I

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D

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M

A

T

S

T

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T

M

I

I

L

G

G

Q

F

D

K

V

I

S

S

M

M

P

P

V

I

A

M

L

I

A

A

P
|
P

V
x
T

G
x
A

L

M

T

Q

G

K

M

M

Q

A

H

H

A

P

D

E

G

G

E

E

I

Y

K

A

A

T

A

A

R

R

A

A

E

S

T

A

F

A

G

G

V

T

P

I

F

M

T

T

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

V

E

E

V

V

A

A

E

S

A

T

T

G

T

P

K

G

P

I

F

R

W

F

F

F

Q
|
Q

L
|
L

Y
|
Y

T

V

M

Y

K

K

D

D

D

R

D

N

Y

V

V

V

R

A

R

Q

L

L

I

V

Q

R

R

R

A

A

K

E

D

R

A

A

R

G

C

F

S

K

A

A

L

I

V

A

I

L

T
|
T

L

V

D

D

L

T

Q

P

I

R

L

L

G

G

Q

R

R

R

H

E

K

A

D

D

L

I

K

K

N

N

G

R

L

F

S

V

A

L

P

P

K

F

L

L

T

T

P

L

K

K

T

-

I

-

A

-

N

-

L

-

M

-

T

-

K

-

W

-

S

-

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

-

R

-

N

N

F

F

G

E

N

G

I

I

-

D

V

L

G

G

H

K

V

M

E

D

G

K

I

A

S

N

D

D

A

-

S

S

S

G

L

L

G

S

A

S

W

Y

T

V

A

A

E

G

Q

Q

F

I

D

D

P

R

S

S

L

L

D

S

W

W

S

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D

I

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A

A

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P

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K

G

G

I

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I

D

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V

A

E

E

D

D

A

A

K

R

M

L

A

A

A

V

K

Q

L

H

G

G

A

A

D

A

A

G

I

I

V

I

V

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S
|
S

N

N

H

H

G

G

G

A

R

R

Q

Q

L

L

D

D

G

Y

A

V

L

P

S

A

S

T

I

I

Q

M

M

A

L

L

P

E

A

E

I

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M

V

D

K

A

A

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A

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G

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I

E

P

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H

F

L

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D
|
D

S
x
G

G
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G

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x
V

R
|
R

S

R

G

G

Q

T

D

D

V

V

L

F

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

A

G

G

T

V

M

F

I

I

G
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G

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|
R

A

P

F

V

V

V

Y

F

G

S

L

L

G

A

A

A

M

E

G

G

Q

E

H

A

G

G

V

V

T

K

R

K

A

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L

E

Q

V

M

L

M

H

R

K

D

E

E

L

F

D

E

T

L

T

T

M

M

A

A

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G

E

C

K

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E

L

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G

S

R

R

H

S

N

H

L

I

Y24 (= Y25) mutation to F: 10-fold decrease in affinity for glycolate.
PTA 77:79 (≠ PVG 78:80) binding
S106 (= S107) binding
W108 (≠ M109) mutation to S: 100-fold decrease in affinity for glycolate and 500-fold decrease in activity.
QLY 127:129 (= QLY 128:130) binding
T155 (= T156) binding
K230 (= K252) binding
S252 (= S274) binding
DGGVR 285:289 (≠ DSGIR 307:311) binding
GR 308:309 (= GR 330:331) binding

Sites not aligning to the query:

1 modified: N-acetylmethionine

7r4nA Structure of human hydroxyacid oxidase 1 bound with 5-bromo-n-methyl- 1h-indazole-3-carboxamide
37% identity, 95% coverage: 1:368/388 of query aligns to 1:342/352 of 7r4nA

query
sites
7r4nA

M

L

P

P

V

R

I

L

T

I

N

C

I

I

N

N

D

D

L

Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

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P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

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M

A

L

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D

N

M

V

A

A

G

E

R

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S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L
x
M

T

Q

G

R

M

M

Q

A

H

H

A

V

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D

G

G

E

E

I

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K

A

A

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A

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R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D

D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R
|
R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

-

P

-

K

-

T

-

I

-

A

-

N

-

L

-

M

-

T

-

K

-

W

-

S

-

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

R

R
x
M

R

K

N

N

F

F

G

S

N

T

I

L

V

-

G

-

H

-

V

-

E

-

G

S

I

F

S

S

D

D

A

-

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I

R

E

R

L

L

W

T

D

S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G

G

A

L

D

N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I
x
V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A

F

M

Q

G

G

Q

E

H

K

G

G

V

V

T

Q

R

D

A

V

L

L

E

E

V

I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

binding 5-bromanyl-N-methyl-1H-indazole-3-carboxamide: Y25 (= Y25), A80 (≠ G80), M81 (≠ L81), W109 (≠ M109), Y131 (= Y130), R166 (= R165), M182 (≠ R202), H250 (= H276), R253 (= R279)
binding flavin mononucleotide: Y25 (= Y25), Y26 (≠ A26), A78 (≠ P78), T79 (≠ V79), A80 (≠ G80), S107 (= S107), W109 (≠ M109), Q129 (= Q128), Y131 (= Y130), T157 (= T156), K226 (= K252), H250 (= H276), G251 (= G277), R253 (= R279), D281 (= D307), G282 (≠ S308), G283 (= G309), R285 (= R311), V303 (≠ I329), G304 (= G330), R305 (= R331)

5qieA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2856434894
37% identity, 93% coverage: 7:368/388 of query aligns to 5:343/353 of 5qieA

query
sites
5qieA

I

I

N

N

D

D

L

Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

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P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

P

R

R

V

M

A

L

V

R

D

N

M

V

A

A

G

E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L

M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G

T

P

K

E

P

A

F

L

-

R

W

W

F

L

Q
|
Q

L

L

Y
|
Y

T

I

M

Y

K

K

D

D

D

R

D

E

Y

V

V

T

R

K

L

L

I

V

Q

R

R

Q

A

A

K

E

D

K

A

M

R

G

C

Y

S

K

A

A

L

I

V

F

I

V

T
|
T

L

V

D
|
D

L

T

Q

P

I

Y

L

L

G

G

Q

N

R

R

H

L

K

D

D

D

L

V

K

R

N

N

G

R

L

F

S

K

A

L

P

P

K

Q

L

L

T

-

P

-

K

-

T

-

I

-

A

-

N

-

L

-

M

-

T

-

K

-

W

-

S

-

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

R

R

M

R

K

N

N

F

F

G

E

N

T

I

-

V

-

G

-

H

S

V

T

E

L

G

S

I

F

S

S

D

P

A

D

S

S

S

G

L

L

G

A

A

A

W

Y

T

V

A

A

E

K

Q

A

F

I

D

D

P

P

S

S

L

I

D

S

W

W

S

E

K

D

I

I

A

K

K

W

L

L

I

R

E

R

L

L

W

T

D

S

G

L

K

P

V

I

I

V

L

A

K
|
K

G

G

I

I

L

L

D

R

V

G

E

D

D

D

A

A

K

R

M

E

A

A

A

V

K

K

L

H

G

G

A

L

D

N

A

G

I

I

V

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

G

A

V

L

P

S

A

S

T

I

I

Q

D

M

V

L

L

P

P

A

E

I

I

M

V

D

E

A

A

V

V

G

E

D

G

Q

K

I

V

E

E

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

K

G

G

Q

T

D

D

V

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

K

G

A

T

V

M

F

I
x
V

G
|
G

R
|
R

A

P

F

I

V

V

Y

W

G

G

L

L

G

A

A

F

M

Q

G

G

Q

E

H

K

G

G

V

V

T

Q

R
x
D

A

V

L

L

E

E

V
x
I

L

L

H

K

K

E

E

E

L

F

D

R

T

L

T

A

M

M

A

A

L

L

C

S

G

G

E

C

K

Q

S

N

V

V

active site: Y129 (= Y130), D157 (= D158), H251 (= H276)
binding flavin mononucleotide: Y23 (= Y25), Y24 (≠ A26), A76 (≠ P78), T77 (≠ V79), A78 (≠ G80), S105 (= S107), W107 (≠ M109), Q127 (= Q128), Y129 (= Y130), T155 (= T156), K227 (= K252), H251 (= H276), G252 (= G277), R254 (= R279), D282 (= D307), G283 (≠ S308), G284 (= G309), R286 (= R311), V304 (≠ I329), G305 (= G330), R306 (= R331)
binding ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline: D322 (≠ R347), I326 (≠ V351)

Sites not aligning to the query:

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

1al7A Three-dimensional structures of glycolate oxidase with bound active- site inhibitors (see paper)
37% identity, 96% coverage: 4:376/388 of query aligns to 3:345/350 of 1al7A

query
sites
1al7A

I

I

T

T

N

N

I

V

N

N

D

E

L

Y

K

E

R

A

I

I

Y

A

E

K

R

Q

R

K

V

L

P

P

R

K

M

M

F

V

Y

Y

D

D

Y
|
Y

A
x
Y

E

A

S

S

G

G

S

A

W

E

T

D

E

Q

Q

W

T

T

F

L

R

A

D

E

N

N

T

R

N

N

D

A

F

F

E

S

K

R

I

I

R

L

L

F

R

R

Q

P

R

R

V

I

A

L

V

I

D

D

M

V

A

T

G

N

R

I

S

D

T

M

A

T

S

T

Q

T

M

I

I

L

G

G

Q

F

D

K

V

I

S

S

M

M

P

P

V

I

A

M

L

I

A
|
A

P
|
P

V
x
T

G
x
A

L

M

T

Q

G

K

M

M

Q

A

H

H

A

P

D

E

G

G

E

E

I

Y

K

A

A

T

A

A

R

R

A

A

E

S

T

A

F

A

G

G

V

T

P

I

F

M

T

T

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

V

E

E

V

V

A

A

E

S

A

T

T

G

T

P

K

G

P

I

F

R

W

F

F

F

Q
|
Q

L

L

Y
|
Y

T

V

M
x
Y

K

K

D

D

D

R

D

N

Y

V

V

V

R

A

R

Q

L

L

I

V

Q

R

R

R

A

A

K

E

D

R

A

A

R

G

C

F

S

K

A

A

L

I

V

A

I

L

T
|
T

L

V

D
|
D

L

T

Q

P

I

R

L
|
L

G

G

Q

R

R
|
R

H

E

K

A

D

D

L

I

K

K

N

N

G

R

L
x
F

S

V

A

L

P

P

K

F

L

L

T

T

P

L

K

K

T

-

I

-

A

-

N

-

L

-

M

-

T

-

K

-

W

-

S

-

W

-

G

-

L

-

Q

-

M

-

L

-

S

-

A

-

K

-

R

-

N

N

F

F

G

-

N

-

I

-

V

-

G

-

H

-

V

-

E

E

G

G

I

I

S

D

D

-

A

-

S

L

S

G

L

L

G

S

A

S

W

Y

T

V

A

A

E

G

Q

Q

F
x
I

D

D

P

R

S

S

L

L

D

S

W

W

S

K

K

D

I

V

A

A

K

W

L

L

I

Q

E

T

L

I

W

T

D

S

G

L

K

P

V

I

I

L

L

V

K
|
K

G

G

I

V

L

I

D

T

V

A

E

E

D

D

A

A

K

R

M

L

A

A

A

V

K

Q

L

H

G

G

A

A

D

A

A

G

I

I

V

I

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

Q

Q

L

L

D

D

G

Y

A

V

L

P

S

A

S

T

I

I

Q

M

M

A

L

L

P

E

A

E

I

V

M

V

D

K

A

A

V

A

G

Q

D

G

Q

R

I

I

E

P

V

V

H

F

L

L

D
|
D

S
x
G

G
|
G

I

V

R
|
R

S

R

G

G

Q

T

D

D

V

V

L

F

K

K

A

A

L

L

A

A

L

L

G

G

A

A

K

A

G

G

T

V

M

F

I
|
I

G
|
G

R
|
R

A

P

F

V

V

V

Y

F

G

S

L

L

G

A

A

A

M

E

G

G

Q

E

H

A

G

G

V

V

T

K

R

K

A

V

L

L

E

Q

V

M

L

M

H

R

K

D

E

E

L

F

D

E

T

L

T

T

M

M

A

A

L

L

C

S

G

G

E

C

K

R

S

S

V

L

A

K

D

E

L

I

G

S

R

R

H

S

N

H

L

I

active site: S106 (= S107), Y129 (= Y130), T155 (= T156), D157 (= D158), K221 (= K252), H245 (= H276)
binding flavin mononucleotide: Y24 (= Y25), Y25 (≠ A26), A76 (= A77), P77 (= P78), T78 (≠ V79), A79 (≠ G80), S106 (= S107), Q127 (= Q128), Y129 (= Y130), T155 (= T156), K221 (= K252), H245 (= H276), G246 (= G277), R248 (= R279), D276 (= D307), G277 (≠ S308), G278 (= G309), R280 (= R311), I298 (= I329), G299 (= G330), R300 (= R331)
binding 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole: Y24 (= Y25), A79 (≠ G80), W108 (≠ M109), Y129 (= Y130), Y131 (≠ M132), L161 (= L162), R164 (= R165), F172 (≠ L173), I198 (≠ F229), H245 (= H276), R248 (= R279)

5qihA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2697514548
37% identity, 93% coverage: 7:368/388 of query aligns to 5:334/344 of 5qihA

query
sites
5qihA

I

I

N

N

D

D

L

Y

K

E

R

Q

I

H

Y

A

E

K

R

S

R

V

V

L

P

P

R

K

M

S

F

I

Y

Y

D

D

Y
|
Y

A
x
Y

E

R

S

S

G

G

S

A

W

N

T

D

E

E

Q

E

T

T

F

L

R

A

D

D

N

N

T

I

N

A

D

A

F

F

E

S

K

R

I

W

R

K

L

L

R

Y

Q

P

R

R

V

M

A

L

V

R

D

N

M

V

A

A

G

E

R

T

S

D

T

L

A

S

S

T

Q

S

M

V

I

L

G

G

Q

Q

D

R

V

V

S

S

M

M

P

P

V

I

A

C

L

V

A

G

P
x
A

V
x
T

G
x
A

L
x
M

T

Q

G

R

M

M

Q

A

H

H

A

V

D

D

G

G

E

E

I

L

K

A

A

T

A

V

R

R

A

A

A

C

E

Q

T

S

F

L

G

G

V

T

P

G

F

M

T

M

L

L

S
|
S

T

S

M
x
W

S

A

I

T

N

S

S

S

I

I

E

E

V

V

A

A

E

E

A

A

T

G