SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AZOBR_RS19085 FitnessBrowser__azobra:AZOBR_RS19085 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)

Q8Z0C8 L-lactate oxidase; LOX; Glyoxylate oxidase; No-LOX; EC 1.1.3.-; EC 1.2.3.5 from Nostoc sp. (strain PCC 7120 / SAG 25.82 / UTEX 2576) (see paper)
47% identity, 98% coverage: 1:356/362 of query aligns to 1:363/365 of Q8Z0C8

query
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Q8Z0C8

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M82 (= M82) mutation to T: Increases oxidation activity with both L-lactate and glycolate. Shows a 6-fold decrease in the L-lactate/glycolate oxidase activity ratio.
L112 (≠ Q112) mutation to W: Impairs oxidation of L-lactate. Shows a 2-fold decrease in the L-lactate/glycolate oxidase activity ratio.
F212 (= F205) mutation to V: Impairs oxidation of L-lactate. Shows a 27-fold decrease in the L-lactate/glycolate oxidase activity ratio.

Q07523 2-Hydroxyacid oxidase 2; HAOX2; (S)-2-hydroxy-acid oxidase, peroxisomal; Long chain alpha-hydroxy acid oxidase; Long-chain L-2-hydroxy acid oxidase; LCHAO; EC 1.1.3.15 from Rattus norvegicus (Rat) (see 4 papers)
39% identity, 96% coverage: 8:356/362 of query aligns to 4:348/353 of Q07523

query
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Q07523

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PTA 77:79 (≠ PMA 81:83) binding
S106 (= S110) binding
Q128 (= Q131) binding
T156 (= T159) binding
K224 (= K232) binding
DGGVR 279:283 (≠ DGGIR 287:291) binding
GR 302:303 (≠ GQ 310:311) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5zbmB Structure of glycolate oxidase containing fmn from nicotiana benthamiana (see paper)
41% identity, 97% coverage: 6:356/362 of query aligns to 1:348/353 of 5zbmB

query
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5zbmB

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active site: Y128 (= Y133), D156 (= D161), H248 (= H256)
binding flavin mononucleotide: Y23 (= Y28), Y24 (≠ I29), P76 (= P81), T77 (≠ M82), W107 (≠ Q112), Q126 (= Q131), Y128 (= Y133), T154 (= T159), K224 (= K232), H248 (= H256), G249 (= G257), R251 (= R259), D279 (= D287), G280 (= G288), R283 (= R291), G302 (= G310), R303 (≠ Q311)

P05414 Glycolate oxidase; GAO; GOX; Short chain alpha-hydroxy acid oxidase; EC 1.1.3.15 from Spinacia oleracea (Spinach) (see 4 papers)
40% identity, 97% coverage: 6:356/362 of query aligns to 2:354/369 of P05414

query
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P05414

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A

L

L

T
|
T

V

V

D

D

A

T

P

P

V

R

S

L

G

G

L

R

R

R

N

E

I

A

E

D

Q

I

R

K

A

N

G

R

F

F

R

V

L

L

P

P

D

P

G

F

I

L

A

T

P

L

V

K

N

N

L

F

A

E

G

G

L

I

A

D

P

L

D

G

S

K

F

M

T

D

P

K

T

A

R

N

P

D

G

S

-

G

-

L

S

S

P

S

V

Y

F

V

Q

A

G

G

M

Q

L

I

H

D

A

R

A

S

A

L

S

S

W

W

D

K

T

D

V

V

R

A

W

W

L

L

C

Q

A

T

E

I

T

T

R

S

L

L

P

P

V

I

L

L

L

V

K
|
K

G

G

I

V

M

I

N

T

P

A

D

E

D

D

V

A

D

R

L

L

A

A

V

V

E

Q

A

H

G

G

A

A

G

G

I

I

V

V

S
|
S

N

N

H

H

G

G

G

A

R

R

T

Q

L

L

D

D

T

Y

L

V

P

P

A

A

V

T

A

I

E

M

V

A

L

L

P

E

L

E

V

V

A

V

T

K

R

A

A

A

A

Q

G

G

R

R

L

I

P

P

I

V

L

F

A

L

D
|
D

G
|
G

I
x
V

R
|
R

R

R

G

G

T

T

D

D

I

V

L

F

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

A

A

G

V

V

L

F

V

I

G
|
G

Q
x
R

P

P

V

V

L

V

H

F

A

S

L

L

A

A

V

A

G

E

G

G

M

E

A

A

G

G

V

V

A

K

H

K

M

V

L

L

T

Q

I

M

L

M

Q

R

T

D

E

E

L

F

E

E

V

L

A

T

M

M

A

A

L

L

S

S

G

G

R

C

A

R

R

S

L

L

A

K

D

E

I

I

D

S

R

R

S

S

V

H

I

I

Y24 (= Y28) mutation to F: 10-fold decrease in affinity for glycolate.
PTA 77:79 (≠ PMA 81:83) binding
S106 (= S110) binding
W108 (≠ Q112) mutation to S: 100-fold decrease in affinity for glycolate and 500-fold decrease in activity.
QLY 127:129 (≠ QIY 131:133) binding
T155 (= T159) binding
K230 (= K232) binding
S252 (= S254) binding
DGGVR 285:289 (≠ DGGIR 287:291) binding
GR 308:309 (≠ GQ 310:311) binding

Sites not aligning to the query:

1 modified: N-acetylmethionine

5qieA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2856434894
39% identity, 96% coverage: 8:356/362 of query aligns to 3:351/353 of 5qieA

query
sites
5qieA

V
x
I

S

C

L

I

Y

N

D

D

Y

Y

E

E

R

Q

H

H

F

A

T

K

A

S

R

V

V

L

D

P

A

K

A

S

T

I

R

Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

R

R

D

N

L

V

S

A

G

E

A

T

S

D

A

L

A

S

T

T

S

S

L

V

F

L

G

G

Q

Q

A

R

M

V

P

S

Y

M

P

P

I

I

L

C

I

V

A

G

P
x
A

M
x
T

A
|
A

F

M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

S

T

L

G

G

T

T

W

G

M

M

T

M

V

L

S
|
S

T

S

Q

W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

L

L

-

R

W

W

F

L

Q
|
Q

I

L

Y
|
Y

T

I

Q

Y

P

K

R

D

P

R

E

E

D

V

T

T

L

K

A

K

L

L

V

V

R

R

R

Q

A

A

E

E

A

K

A

M

G

G

Y

Y

R

K

A

A

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F

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D

A

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G

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N

R

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N

L

I

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E

D

Q

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A

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G

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F

F

R

K

L

L

P

P

D

P

G

Q

I

L

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R

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M

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K

N

N

L

F

A

E

G

-

L

T

A

S

P

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D

L

S

S

F

F

T

S

P

P

T

D

R

S

P

G

G

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A

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A

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M

A

L

I

H

D

A

P

A

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A

I

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S

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W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

A

K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

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N

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H
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H

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|
G

G

A

R
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R

T

Q

L

L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

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P

E

I

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A

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D
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D

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|
G

G

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R

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K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H
x
D

M

V

L

L

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E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

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L

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S

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G

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C

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V

active site: Y129 (= Y133), D157 (= D161), H251 (= H256)
binding flavin mononucleotide: Y23 (= Y28), Y24 (≠ I29), A76 (≠ P81), T77 (≠ M82), A78 (= A83), S105 (= S110), Q127 (= Q131), Y129 (= Y133), K227 (= K232), H251 (= H256), G252 (= G257), R254 (= R259), D282 (= D287), G283 (= G288), R286 (= R291), G305 (= G310), R306 (≠ Q311)
binding ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline: I3 (≠ V8), D322 (≠ H327)

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, 96% coverage: 8:356/362 of query aligns to 4:339/341 of 7r4oA

query
sites
7r4oA

V

I

S

C

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Y

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Y

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Y

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Y

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A

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x
A

M
x
T

A
|
A

F

M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

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T

L

G

G

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W

G

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|
S

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S

Q

W

S

A

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S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

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-

R

W

W

F

L

Q
|
Q

I

L

Y
|
Y

T

I

Q
x
Y

P
x
K

R
x
D

P

R

E

E

D

V

T

T

L

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A

K

L

L

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A

A

E

E

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A

M

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K

A

A

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I

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F

L

V

T

T

V

V

D

D

A

T

P

P

V

Y

S

L

G

G

L

N

R

R

N

L

I

D

E

D

Q

V

R

R

A

N

G

R

F

F

R

K

L

L

P

P

D

P

G

Q

I

L

A

R

P

M

V

K

N
|
N

L

L

A

A

G

A

L

Y

A

V

P

A

D
x
K

S

A

F

I

T

D

P

P

T

S

R

-

P

-

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

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K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

T

Q

L

L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

V

P

E

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

L

L

S

S

G

G

R

C

A

Q

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N

L

V

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D

V

I

I

D

D

R

K

S

T

V

L

I

V

binding flavin mononucleotide: Y25 (≠ I29), A77 (≠ P81), T78 (≠ M82), A79 (= A83), S106 (= S110), Q128 (= Q131), Y130 (= Y133), K215 (= K232), H239 (= H256), G240 (= G257), R242 (= R259), D270 (= D287), G271 (= G288), R274 (= R291), G293 (= G310), R294 (≠ Q311)
binding 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one: Y132 (≠ Q135), K133 (≠ P136), D134 (≠ R137), N183 (= N186), K190 (≠ D193)

7r4nA Structure of human hydroxyacid oxidase 1 bound with 5-bromo-n-methyl- 1h-indazole-3-carboxamide
39% identity, 96% coverage: 8:356/362 of query aligns to 5:350/352 of 7r4nA

query
sites
7r4nA

V

I

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C

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Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

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D

N

L

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A

L

A

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S

S

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V

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Q

A

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M

V

P

S

Y

M

P

P

I

I

L

C

I

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A

G

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x
A

M
x
T

A
|
A

F
x
M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

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A

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R

A

A

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Q

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L

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|
S

T

S

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x
W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

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G

E

P

A

L

L

-

R

W

W

F

L

Q
|
Q

I

L

Y
|
Y

T

I

Q

Y

P

K

R

D

P

R

E

E

D

V

T

T

L

K

A

K

L

L

V

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R

Q

A

A

E

E

A

K

A

M

G

G

Y

Y

R

K

A

A

L

I

V

F

L

V

T
|
T

V

V

D

D

A

T

P

P

V

Y

S

L

G

G

L

N

R
|
R

N

L

I

D

E

D

Q

V

R

R

A

N

G

R

F

F

R

K

L

L

P

P

D

P

G

Q

I

L

A

R

P
x
M

V

K

N

N

L

F

A

S

G

T

L

L

A

-

P

-

D

-

S

S

F

F

T

S

P

D

T

S

R

G

P

L

G

A

S

A

P

Y

V

V

F

A

Q

K

G

A

M

-

L

I

H

D

A

P

A

S

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

A

K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

T

Q

L

L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

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E

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I

A

V

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E

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A

A

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G

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K

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E

I

V

L

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A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

L

L

S

S

G

G

R

C

A

Q

R

N

L

V

A

K

D

V

I

I

D

D

R

K

S

T

V

L

I

V

binding 5-bromanyl-N-methyl-1H-indazole-3-carboxamide: Y25 (= Y28), A80 (= A83), M81 (≠ F84), W109 (≠ Q112), Y131 (= Y133), R166 (= R168), M182 (≠ P184), H250 (= H256), R253 (= R259)
binding flavin mononucleotide: Y25 (= Y28), Y26 (≠ I29), A78 (≠ P81), T79 (≠ M82), A80 (= A83), S107 (= S110), W109 (≠ Q112), Q129 (= Q131), Y131 (= Y133), T157 (= T159), K226 (= K232), H250 (= H256), G251 (= G257), R253 (= R259), D281 (= D287), G282 (= G288), R285 (= R291), G304 (= G310), R305 (≠ Q311)

1al7A Three-dimensional structures of glycolate oxidase with bound active- site inhibitors (see paper)
40% identity, 97% coverage: 6:356/362 of query aligns to 2:345/350 of 1al7A

query
sites
1al7A

D

E

T

I

V

T

S

N

L

V

Y

N

D

E

Y

Y

E

E

R

A

H

I

F

A

T

K

A

Q

R

K

V

L

D

P

A

K

A

M

T

V

R

Y

A

D

Y
|
Y

I
x
Y

A

A

G

S

T

G

G

A

A

E

D

D

G

Q

I

W

T

T

R

L

Q

A

A

E

N

N

R

R

D

N

A

A

Y

F

D

S

R

R

M

I

R

L

L

F

M

R

P

P

R

R

A

I

L

L

R

I

D

D

L

V

S

T

G

N

A

I

S

D

A

M

A

T

T

T

S

T

L

I

F

L

G

G

Q

F

A

K

M

I

P

S

Y

M

P

P

I

I

L

M

I

I

A

A

P
|
P

M
x
T

A
|
A

F

M

H

Q

R

K

L

M

V

A

H

H

R

P

D

E

G

G

E

E

R

Y

A

A

T

T

A

A

Q

R

A

A

G

S

L

A

T

A

G

G

T

T

W

I

M

M

T

T

V

L

S
|
S

T

S

Q
x
W

S

A

S

T

V

S

T

S

L

V

E

E

V

V

A

A

A

S

A

T

A

G

G

P

G

G

P

I

L

R

W

F

F

F

Q
|
Q

I

L

Y
|
Y

T

V

Q

Y

P

K

R

D

P

R

E

N

D

V

T

V

L

A

A

Q

L

L

V

V

R

R

A

A

E

E

A

R

A

A

G

G

Y

F

R

K

A

A

L

I

V

A

L

L

T
|
T

V

V

D
|
D

A

T

P

P

V

R

S

L

G

G

L

R

R
|
R

N

E

I

A

E

D

Q

I

R

K

A

N

G

R

F
|
F

R

V

L

L

P

P

D

P

G

F

I

L

A

T

P

L

V

K

N

N

L

F

A

E

G

G

L

I

A

D

P

L

D

G

S

L

F

-

T

-

P

-

T

-

R

-

P

-

G

-

S

S

P

S

V

Y

F

V

Q

A

G

G

M

Q

L
x
I

H

D

A

R

A

S

A

L

S

S

W

W

D

K

T

D

V

V

R

A

W

W

L

L

C

Q

A

T

E

I

T

T

R

S

L

L

P

P

V

I

L

L

L

V

K
|
K

G

G

I

V

M

I

N

T

P

A

D

E

D

D

V

A

D

R

L

L

A

A

V

V

E

Q

A

H

G

G

A

A

G

G

I

I

V

V

S

S

N

N

H
|
H

G

G

G

A

R
|
R

T

Q

L

L

D

D

T

Y

L

V

P

P

A

A

V

T

A

I

E

M

V

A

L

L

P

E

L

E

V

V

A

V

T

K

R

A

A

A

A

Q

G

G

R

R

L

I

P

P

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

R

G

G

T

T

D

D

I

V

L

F

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

A

A

G

V

V

L

F

V

I

G
|
G

Q
x
R

P

P

V

V

L

V

H

F

A

S

L

L

A

A

V

A

G

E

G

G

M

E

A

A

G

G

V

V

A

K

H

K

M

V

L

L

T

Q

I

M

L

M

Q

R

T

D

E

E

L

F

E

E

V

L

A

T

M

M

A

A

L

L

S

S

G

G

R

C

A

R

R

S

L

L

A

K

D

E

I

I

D

S

R

R

S

S

V

H

I

I

active site: S106 (= S110), Y129 (= Y133), T155 (= T159), D157 (= D161), K221 (= K232), H245 (= H256)
binding flavin mononucleotide: Y24 (= Y28), Y25 (≠ I29), P77 (= P81), T78 (≠ M82), A79 (= A83), S106 (= S110), Q127 (= Q131), T155 (= T159), K221 (= K232), H245 (= H256), R248 (= R259), D276 (= D287), G277 (= G288), R280 (= R291), G299 (= G310), R300 (≠ Q311)
binding 4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole: Y24 (= Y28), W108 (≠ Q112), Y129 (= Y133), R164 (= R168), F172 (= F176), I198 (≠ L209), H245 (= H256), R248 (= R259)

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, 96% coverage: 8:356/362 of query aligns to 6:358/360 of 6gmcA

query
sites
6gmcA

V

I

S

C

L

I

Y

N

D

D

Y

Y

E

E

R

Q

H

H

F

A

T

K

A

S

R

V

V

L

D

P

A

K

A

S

T

I

R

Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

R

R

D

N

L

V

S

A

G

E

A

T

S

D

A

L

A

S

T

T

S

S

L

V

F

L

G

G

Q

Q

A

R

M

V

P

S

Y

M

P

P

I

I

L

C

I

V

A

G

P
x
A

M
x
T

A
|
A

F
x
M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

S

T

L

G

G

T

T

W

G

M

M

T

M

V

L

S
|
S

T

S

Q
x
W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

L

L

-

R

W

W

F

L

Q
|
Q

I

L

Y
|
Y

T

I

Q

Y

P

K

R

D

P

R

E

E

D

V

T

T

L

K

A

K

L

L

V

V

R

R

R

Q

A

A

E

E

A

K

A

M

G

G

Y

Y

R

K

A

A

L

I

V

F

L

V

T
|
T

V

V

D
|
D

A

T

P

P

V

Y

S

L

G

G

L

N

R
|
R

N

L

I

D

E

D

Q

V

R

R

A

N

G

R

F

F

R

K

L

L

P

P

D

P

G

Q

I

L

A

R

P

M

V

K

N

N

L

F

A

S

G

T

L

L

A

S

-
x
F

-

S

-

P

P

E

D

E

S

N

F

F

T

G

P

D

T

D

R

S

P

G

G
x
L

S

A

P

A

V
x
Y

F

V

Q

A

G

K

M

A

L

I

H

D

A

P

A

S

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

A

K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

T

Q

L

L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

V

P

E

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

L

L

S

S

G

G

R

C

A

Q

R

N

L

V

A

K

D

V

I

I

D

D

R

K

S

T

V

L

I

V

active site: Y132 (= Y133), D160 (= D161), H258 (= H256)
binding 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate: Y26 (= Y28), M82 (≠ F84), W110 (≠ Q112), Y132 (= Y133), R167 (= R168), F191 (vs. gap), L203 (≠ G201), Y206 (≠ V204), H258 (= H256), R261 (= R259)
binding flavin mononucleotide: Y26 (= Y28), Y27 (≠ I29), A79 (≠ P81), T80 (≠ M82), A81 (= A83), S108 (= S110), Q130 (= Q131), Y132 (= Y133), T158 (= T159), K234 (= K232), H258 (= H256), G259 (= G257), R261 (= R259), D289 (= D287), G290 (= G288), R293 (= R291), G312 (= G310), R313 (≠ Q311)

5qihA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z2697514548
39% identity, 96% coverage: 8:356/362 of query aligns to 3:342/344 of 5qihA

query
sites
5qihA

V

I

S

C

L

I

Y

N

D

D

Y

Y

E

E

R

Q

H

H

F

A

T

K

A

S

R

V

V

L

D

P

A

K

A

S

T

I

R

Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

R

R

D

N

L

V

S

A

G

E

A

T

S

D

A

L

A

S

T

T

S

S

L

V

F

L

G

G

Q

Q

A

R

M

V

P

S

Y

M

P

P

I

I

L

C

I

V

A

G

P
x
A

M
x
T

A
|
A

F
x
M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

S

T

L

G

G

T

T

W

G

M

M

T

M

V

L

S
|
S

T

S

Q
x
W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

L

L

-

R

W

W

F

L

Q
|
Q

I

L

Y
|
Y

T

I

Q

Y

P

K

R

D

P

R

E

E

D

V

T

T

L

K

A

K

L

L

V

V

R

R

R

Q

A

A

E

E

A

K

A

M

G

G

Y

Y

R

K

A

A

L

I

V

F

L

V

T

T

V

V

D
|
D

A

T

P

P

V

Y

S

L

G

G

L

N

R

R

N

L

I

D

E

D

Q

V

R

R

A

N

G

R

F

F

R

K

L

L

P

P

D

P

G

Q

I

L

A

R

P
x
M

V

K

N

N

L

F

-

D

A

S

G

G

L
|
L

A

A

P

A

D

Y

S

V

F

A

T

K

P

A

T

I

R

D

P

P

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

S

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

A

K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

T

Q

L

L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

V

P

E

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

L

L

S

S

G

G

R

C

A

Q

R

N

L

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A

K

D

V

I

I

D

D

R

K

S

T

V

L

I

V

active site: Y129 (= Y133), D157 (= D161), H242 (= H256)
binding flavin mononucleotide: Y23 (= Y28), Y24 (≠ I29), A76 (≠ P81), T77 (≠ M82), A78 (= A83), S105 (= S110), Q127 (= Q131), Y129 (= Y133), K218 (= K232), H242 (= H256), G243 (= G257), R245 (= R259), D273 (= D287), G274 (= G288), R277 (= R291), G296 (= G310), R297 (≠ Q311)
binding 1-methylindazole-3-carboxamide: Y23 (= Y28), A78 (= A83), M79 (≠ F84), W107 (≠ Q112), Y129 (= Y133), M180 (≠ P184), L187 (= L190), H242 (= H256)

5qidA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z1787627869
39% identity, 96% coverage: 8:356/362 of query aligns to 3:342/344 of 5qidA

query
sites
5qidA

V

I

S

C

L

I

Y

N

D

D

Y

Y

E

E

R

Q

H

H

F

A

T

K

A

S

R

V

V

L

D

P

A

K

A

S

T

I

R

Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

R

R

D

N

L

V

S

A

G

E

A
x
T

S

D

A

L

A

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T

T

S

S

L

V

F

L

G

G

Q

Q

A

R

M

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M

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I

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x
A

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x
T

A
|
A

F

M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

S

T

L

G

G

T

T

W

G

M

M

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V

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|
S

T

S

Q

W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

L

L

-

R

W

W

F

L

Q
|
Q

I

L

Y
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Y

T

I

Q

Y

P

K

R

D

P

R

E

E

D

V

T

T

L

K

A

K

L

L

V

V

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R

R

Q

A

A

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A

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A

M

G

G

Y

Y

R

K

A

A

L

I

V

F

L

V

T

T

V

V

D
|
D

A

T

P

P

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Y

S

L

G

G

L

N

R

R

N

L

I

D

E

D

Q

V

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R

A

N

G

R

F

F

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K

L

L

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P

D

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Q

I

L

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V

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N

N

L

F

-

D

A

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G

L

L

A

A

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A

D

Y

S

V

F

A

T

K

P

A

T

I

R

D

P

P

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

S

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

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L

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K
|
K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

N

H
|
H

G
|
G

G

A

R
|
R

T

Q

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L

D

D

T

G

L

V

P

P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

V

P

E

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

Q
x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

G

Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T
x
E

E

E

L

F

E
x
R

V

L

A

A

M

M

A

A

L

L

S

S

G

G

R

C

A

Q

R

N

L

V

A

K

D

V

I

I

D

D

R

K

S

T

V

L

I

V

active site: Y129 (= Y133), D157 (= D161), H242 (= H256)
binding flavin mononucleotide: Y23 (= Y28), Y24 (≠ I29), A76 (≠ P81), T77 (≠ M82), A78 (= A83), S105 (= S110), Q127 (= Q131), Y129 (= Y133), K218 (= K232), H242 (= H256), G243 (= G257), R245 (= R259), D273 (= D287), G274 (= G288), R277 (= R291), G296 (= G310), R297 (≠ Q311)
binding 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine: T57 (≠ A62), E320 (≠ T334), R323 (≠ E337)

5qicA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with z30620520
39% identity, 96% coverage: 8:356/362 of query aligns to 3:342/344 of 5qicA

query
sites
5qicA

V

I

S

C

L

I

Y

N

D

D

Y

Y

E

E

R

Q

H

H

F

A

T

K

A

S

R

V

V

L

D

P

A

K

A

S

T

I

R

Y

A

D

Y
|
Y

I
x
Y

A

R

G

S

T

G

G

A

A

N

D

D

G

E

I

E

T

T

R

L

Q

A

A

D

N

N

R

I

D

A

A

A

Y

F

D

S

R

R

M

W

R

K

L

L

M

Y

P

P

R

R

A

M

L

L

R

R

D

N

L

V

S

A

G

E

A

T

S

D

A

L

A

S

T

T

S

S

L

V

F

L

G

G

Q

Q

A

R

M

V

P

S

Y

M

P

P

I

I

L

C

I

V

A

G

P
x
A

M
x
T

A
|
A

F

M

H

Q

R

R

L

M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

T

T

A

V

Q

R

A

A

A

C

G

Q

L

S

T

L

G

G

T

T

W

G

M

M

T

M

V

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S
|
S

T

S

Q

W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

P

G

E

P

A

L

L

-

R

W

W

F

L

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I

L

Y
|
Y

T

I

Q
x
Y

P
x
K

R

D

P

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E

E

D
x
V

T

T

L

K

A

K

L

L

V

V

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A

A

E

E

A

K

A

M

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Y

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A

A

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A

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S

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D

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L

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D

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G

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x
M

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N

L
x
F

-

D

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G

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L

A

A

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x
Y

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x
A

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-

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-

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-

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G

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x
R

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P

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A

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I

I

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E

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M

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active site: Y129 (= Y133), D157 (= D161), H242 (= H256)
binding flavin mononucleotide: Y23 (= Y28), Y24 (≠ I29), A76 (≠ P81), T77 (≠ M82), A78 (= A83), S105 (= S110), Q127 (= Q131), Y129 (= Y133), K218 (= K232), H242 (= H256), G243 (= G257), R245 (= R259), D273 (= D287), G274 (= G288), R277 (= R291), G296 (= G310), R297 (≠ Q311)
binding cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone: Y131 (≠ Q135), K132 (≠ P136), V136 (≠ D140), M180 (≠ P184), F183 (≠ L187), Y190 (≠ D193), K193 (≠ T196), A194 (≠ P197)

5qibA Pandda analysis group deposition of models with modelled events (e.G. Bound ligands) -- crystal structure of hao1 in complex with fmopl000388a
39% identity, 96% coverage: 8:356/362 of query aligns to 3:342/344 of 5qibA

query
sites
5qibA

V

I

S

C

L

I

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N

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D

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Y

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Y

A

D

Y
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Y

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x
Y

A

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G

G

A

A

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D

D

G

E

I

E

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Q

A

A

D

N

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A

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C

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x
A

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x
M

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Q

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R

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M

V

A

H

H

R

V

D

D

G

G

E

E

R

L

A

A

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T

A

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R

A

A

A

C

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L

G

G

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T

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G

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M

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x
W

S

A

S

T

V

S

T

S

L

I

E

E

V

V

A

A

A

E

A

A

A

G

G

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G

E

P

A

L

L

-

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Y

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E

D

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A

K

L

L

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A

A

E

E

A

K

A

M

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G

Y

Y

R

K

A

A

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V

F

L

V

T

T

V

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D

A

T

P

P

V

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L

G

G

L

N

R
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R

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L

I

D

E

D

Q

V

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A

N

G

R

F

F

R

K

L

L

P

P

D

P

G

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I

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A

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x
M

V

K

N

N

L

F

-

D

A

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G

G

L
|
L

A

A

P

A

D

Y

S

V

F

A

T

K

P

A

T

I

R

D

P

P

G

-

S

-

P

-

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-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

S

A

I

S

S

W

W

D

E

T

D

V

I

R

K

W

W

L

L

C

R

A

R

E

L

T

T

R

S

L

L

P

P

V

I

L

V

L

A

K
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K

G

G

I

I

M

L

N

R

P

G

D

D

V

A

D

R

L

E

A

A

V

V

E

K

A

H

G

G

A

L

A

N

G

G

I

I

I

L

V

V

S

S

N

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H
|
H

G
|
G

G

A

R
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R

T

Q

L

L

D

D

T

G

L

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P

A

A

V

T

A

I

E

D

V

V

L

L

P

P

L

E

V

I

A

V

T

E

R

A

A

V

A

E

G

G

R

K

L

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P

E

I

V

L

F

A

L

D
|
D

G
|
G

I

V

R
|
R

R

K

G

G

T

T

D

D

I

V

L

L

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

K

A

A

V

V

L

F

V

V

G
|
G

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x
R

P

P

V

I

L

V

H

W

A

G

L

L

A

A

V

F

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Q

G

G

M

E

A

K

G

G

V

V

A

Q

H

D

M

V

L

L

T

E

I

I

L

L

Q

K

T

E

E

E

L

F

E

R

V

L

A

A

M

M

A

A

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L

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G

G

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C

A

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active site: Y129 (= Y133), D157 (= D161), H242 (= H256)
binding 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol: Y23 (= Y28), Y24 (≠ I29), A76 (≠ P81), T77 (≠ M82), A78 (= A83), S105 (= S110), Q127 (= Q131), Y129 (= Y133), K218 (= K232), H242 (= H256), G243 (= G257), R245 (= R259), D273 (= D287), G274 (= G288), G275 (= G289), R277 (= R291), G296 (= G310), R297 (≠ Q311)
binding 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione: Y23 (= Y28), M79 (≠ F84), W107 (≠ Q112), Y129 (= Y133), R164 (= R168), M180 (≠ P184), L187 (= L190), H242 (= H256), R245 (= R259)

1al8A Three-dimensional structure of glycolate oxidase with bound active- site inhibitors (see paper)
40% identity, 97% coverage: 6:356/362 of query aligns to 2:339/344 of 1al8A

query
sites
1al8A

D

E

T

I

V

T

S

N

L

V

Y

N

D

E

Y

Y

E

E

R

A

H

I

F

A

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K

A

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L

D

P

A

K

A

M

T

V

R

Y

A

D

Y
|
Y

I
x
Y

A

A

G

S

T

G

G

A

A

E

D

D

G

Q

I

W

T

T

R

L

Q

A

A

E

N

N

R

R

D

N

A

A

Y

F

D

S

R

R

M

I

R

L

L

F

M

R

P

P

R

R

A

I

L

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R

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D

L

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G

N

A

I

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D

A

M

A

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T

T

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T

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L

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S

Y

M

P

P

I

I

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M

I

I

A

A

P
|
P

M
x
T

A
|
A

F

M

H

Q

R

K

L

M

V

A

H

H

R

P

D

E

G

G

E

E

R

Y

A

A

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T

A

A

Q

R

A

A

G

S

L

A

T

A

G

G

T

T

W

I

M

M

T

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S
|
S

T

S

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x
W

S

A

S

T

V

S

T

S

L

V

E

E

V

V

A

A

A

S

A

T

A

G

G

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G

G

P

I

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W

F

F

F

Q
|
Q

I

L

Y
|
Y

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Y

P

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R

D

P

R

E

N

D

V

T

V

L

A

A

Q

L

L

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V

R

R

A

A

E

E

A

R

A

A

G

G

Y

F

R

K

A

A

L

I

V

A

L

L

T
|
T

V

V

D
|
D

A

T

P

P

V

-

S

-

G

-

L

-

R

R

N

L

I

I

E

K

Q

N

R

R

A

-

G

-

F
|
F

R

V

L

L

P

P

D

P

G

F

I

L

A

T

P

L

V

K

N

N

L

F

A

E

G

G

L

I

A

D

P

L

D

G

S

L

F

-

T

-

P

-

T

-

R

-

P

-

G

-

S

S

P

S

V

Y

F

V

Q

A

G

G

M

Q

L

I

H

D

A

R

A

S

A

L

S

S

W

W

D

K

T

D

V

V

R

A

W

W

L

L

C

Q

A

T

E

I

T

T

R

S

L

L

P

P

V

I

L

L

L

V

K
|
K

G

G

I

V

M

I

N

T

P

A

D

E

D

D

V

A

D

R

L

L

A

A

V

V

E

Q

A

H

G

G

A

A

G

G

I

I

V

V

S

S

N

N

H
|
H

G

G

G

A

R
|
R

T

Q

L

L

D

D

T

Y

L

V

P

P

A

A

V

T

A

I

E

M

V

A

L

L

P

E

L

E

V

V

A

V

T

K

R

A

A

A

A

Q

G

G

R

R

L

I

P

P

I

V

L

F

A

L

D
|
D

G
|
G

G

G

I

V

R
|
R

R

R

G

G

T

T

D

D

I

V

L

F

K

K

A

A

L

L

A

A

L

L

G

G

A

A

D

A

A

G

V

V

L

F

V

I

G
|
G

Q
x
R

P

P

V

V

L

V

H

F

A

S

L

L

A

A

V

A

G

E

G

G

M

E

A

A

G

G

V

V

A

K

H

K

M

V

L

L

T

Q

I

M

L

M

Q

R

T

D

E

E

L

F

E

E

V

L

A

T

M

M

A

A

L

L

S

S

G

G

R

C

A

R

R

S

L

L

A

K

D

E

I

I

D

S

R

R

S

S

V

H

I

I

active site: S106 (= S110), Y129 (= Y133), T155 (= T159), D157 (= D161), K215 (= K232), H239 (= H256)
binding 3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline: Y24 (= Y28), W108 (≠ Q112), Y129 (= Y133), F166 (= F176), H239 (= H256), R242 (= R259)
binding flavin mononucleotide: Y25 (≠ I29), P77 (= P81), T78 (≠ M82), A79 (= A83), S106 (= S110), Q127 (= Q131), Y129 (= Y133), T155 (= T159), K215 (= K232), H239 (= H256), R242 (= R259), D270 (= D287), G271 (= G288), R274 (= R291), G293 (= G310), R294 (≠ Q311)

5zzqA The crystal structure of mandelate oxidase with (s)-4-hydroxymandelic acid (see paper)
43% identity, 93% coverage: 8:344/362 of query aligns to 2:338/355 of 5zzqA

query
sites
5zzqA

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y

F

I

L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A

A

Y

L

D

E

R

R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A

A

P
|
P

M
x
V

A
|
A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q
x
L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
|
Y

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A

V

P

P

V

W

S
x
M

G

G

L

R

R
|
R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

-

D

A

A

G

G

L

T

A

A

P

A

D

H

S

R

F

R

T

T

P

Q

T

G

R

V

P

S

G

A

S

V

P

A

V

D

F

H

Q
x
T

G

A

M

R

L

E

H
x
F

A

A

A

P

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E

E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G

G

G
|
G

I

I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L

L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: Y126 (= Y133), D154 (= D161), H250 (= H256)
binding flavin mononucleotide: P75 (= P81), V76 (≠ M82), A77 (= A83), Q124 (= Q131), Y126 (= Y133), T152 (= T159), K226 (= K232), H250 (= H256), R253 (= R259), D281 (= D287), G283 (= G289), R285 (= R291), G304 (= G310), R305 (≠ Q311)
binding (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid: L106 (≠ Q112), Y126 (= Y133), M158 (≠ S165), R161 (= R168), T200 (≠ Q206), F204 (≠ H210), H250 (= H256), R253 (= R259)

6a24A The crystal structure of mandelate oxidase with 3-fluoropyruvate (see paper)
43% identity, 93% coverage: 8:344/362 of query aligns to 2:338/354 of 6a24A

query
sites
6a24A

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y

F

I

L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A

A

Y

L

D

E

R

R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A

A

P
|
P

M
x
V

A
|
A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q

L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
|
Y

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A

V

P

P

V

W

S

M

G

G

L

R

R
|
R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

-

D

A

A

G

G

L

T

A

A

P

A

D

H

S

R

F

R

T

T

P

Q

T

G

R

V

P

S

G

A

S

V

P

A

V

D

F

H

Q

T

G

A

M

R

L

E

H

F

A

A

A

P

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G
|
G

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E

E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G
|
G

I

I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L

L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: Y126 (= Y133), D154 (= D161), H250 (= H256)
binding flavin mononucleotide: P75 (= P81), V76 (≠ M82), A77 (= A83), Q124 (= Q131), Y126 (= Y133), T152 (= T159), K226 (= K232), H250 (= H256), G251 (= G257), R253 (= R259), D281 (= D287), G282 (= G288), G283 (= G289), R285 (= R291), G304 (= G310), R305 (≠ Q311)
binding pyruvic acid: R161 (= R168), H250 (= H256), R253 (= R259)

6a08A The crystal structure of mandelate oxidase with benzoyl-formic acid (see paper)
43% identity, 93% coverage: 8:344/362 of query aligns to 3:318/335 of 6a08A

query
sites
6a08A

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y

F

I

L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A

A

Y

L

D

E

R

R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A

A

P
|
P

M
x
V

A
|
A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q

L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
|
Y

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A
x
V

P

P

V
x
W

S
x
M

G

G

L

R

R

R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

A

-

G

-

L

-

A

-

P

-

D

D

S

E

F
|
F

T

A

P

P

T

-

R

-

P

-

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G
|
G

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E

E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G
|
G

I
|
I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L
|
L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: Y127 (= Y133), D155 (= D161), H230 (= H256)
binding benzoyl-formic acid: A78 (= A83), Y127 (= Y133), V156 (≠ A162), W158 (≠ V164), M159 (≠ S165), M159 (≠ S165), F184 (= F195), H230 (= H256), R233 (= R259)
binding flavin mononucleotide: P76 (= P81), V77 (≠ M82), A78 (= A83), Q125 (= Q131), Y127 (= Y133), T153 (= T159), K206 (= K232), H230 (= H256), G231 (= G257), R233 (= R259), D261 (= D287), G263 (= G289), R265 (= R291), G284 (= G310), R285 (≠ Q311)
binding magnesium ion: D261 (= D287), G262 (= G288), I264 (= I290), L282 (= L308)

6a01A The crystal structure of mandelate oxidase y128f with 3,3-difluoro-2, 2-dihydroxy-3-phenylpropionic acid (see paper)
42% identity, 93% coverage: 8:344/362 of query aligns to 2:317/333 of 6a01A

query
sites
6a01A

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y
x
F

I

L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A

A

Y

L

D

E

R

R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A

A

P
|
P

M
x
V

A
|
A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q

L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
x
F

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A

V

P

P

V

W

S
x
M

G

G

L

R

R
|
R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

A

-

G

-

L

-

A

-

P

-

D

D

S

E

F

F

T

A

P

P

T

-

R

-

P

-

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E

E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G

G

G
|
G

I

I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L

L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: F126 (≠ Y133), D154 (= D161), H229 (= H256)
binding 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid: F22 (≠ Y28), F126 (≠ Y133), M158 (≠ S165), R161 (= R168), H229 (= H256), R232 (= R259)
binding flavin mononucleotide: P75 (= P81), V76 (≠ M82), A77 (= A83), Q124 (= Q131), F126 (≠ Y133), T152 (= T159), K205 (= K232), H229 (= H256), R232 (= R259), D260 (= D287), G262 (= G289), R264 (= R291), G283 (= G310), R284 (≠ Q311)

6a1aA Mandelate oxidase mutant-y128f with 4-hydroxymandelic acid (see paper)
42% identity, 93% coverage: 8:344/362 of query aligns to 3:318/335 of 6a1aA

query
sites
6a1aA

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y

F

I

L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A
|
A

Y

L

D

E

R
|
R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A

A

P
|
P

M
x
V

A
|
A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q
x
L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
x
F

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A
x
V

P

P

V

W

S
x
M

G

G

L

R

R
|
R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

A

-

G

-

L

-

A

-

P

-

D

D

S

E

F
|
F

T

A

P

P

T

-

R

-

P

-

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E
|
E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G

G

G
|
G

I

I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L

L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: F127 (≠ Y133), D155 (= D161), H230 (= H256)
binding flavin mononucleotide: P76 (= P81), V77 (≠ M82), A78 (= A83), Q125 (= Q131), F127 (≠ Y133), T153 (= T159), K206 (= K232), H230 (= H256), R233 (= R259), D261 (= D287), G263 (= G289), R265 (= R291), G284 (= G310), R285 (≠ Q311)
binding (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid: A40 (= A45), R43 (= R48), L107 (≠ Q112), F127 (≠ Y133), V156 (≠ A162), M159 (≠ S165), R162 (= R168), F184 (= F195), H230 (= H256), R233 (= R259), E243 (= E269)

Sites not aligning to the query:

binding (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid: 332

6a1wA Mandelate oxidase with the enoyl fmn epoxide adduct (see paper)
42% identity, 93% coverage: 8:344/362 of query aligns to 3:317/334 of 6a1wA

query
sites
6a1wA

V

V

S

S

L

L

Y

A

D

D

Y

L

E

E

R

R

H

A

F

A

T

R

A

D

R

V

V

L

D

P

A

G

A

E

T

I

R

F

A

D

Y

F

I
x
L

A

A

G

G

T

G

G

S

A

G

D

T

G

E

I

A

T

S

R

L

Q

V

A

A

N

N

R

R

D

T

A

A

Y

L

D

E

R

R

M

V

R

F

L

V

M

I

P

P

R

R

A

M

L

L

R

R

D

D

L

L

S

T

G

D

A

V

S

T

A

T

A

E

T

I

S

D

L

I

F

F

G

G

Q

R

A

R

M

A

P

A

Y

L

P

P

I

M

L

A

I

V

A
|
A

P
|
P

M
x
V

A

A

F

Y

H

Q

R

R

L

L

V

F

H

H

R

P

D

E

G

G

E

E

R

L

A

A

T

V

A

A

Q

R

A

A

G

R

L

D

T

A

G

G

T

V

W

P

M

Y

T

T

V

I

S

C

T

T

Q

L

S

S

V

V

T

S

L

L

E

E

V

I

A

A

A

V

A

G

G

G

G

R

P

P

L

-

W

W

F

F

Q
|
Q

I

L

Y
|
Y

T

W

Q

L

P

R

R

D

P

E

E

K

D

R

T

S

L

L

A

D

L

L

V

V

R

R

A

A

E

E

A

D

A

A

G

G

Y

C

R

E

A

A

L

I

V

V

L

F

T
|
T

V

V

D
|
D

A

V

P

P

V

W

S

M

G

G

L

R

R
|
R

N

L

I

R

E

D

Q

M

R

R

A

N

G

G

F

F

R

A

L

L

P

P

D

E

G

W

I

V

A

T

P

A

V

A

N

N

L

F

A

-

G

-

L

-

A

-

P

-

D

-

S

D

F

F

T

A

P

P

T

-

R

-

P

-

G

-

S

-

P

-

V

-

F

-

Q

-

G

-

M

-

L

-

H

-

A

-

A

A

S

T

W

W

D

E

T

S

V

V

R

E

W

A

L

V

C

R

A

A

E

H

T

T

R

D

L

L

P

P

V

V

L

V

L

L

K
|
K

G

G

I

I

M

L

N

A

P

V

D

E

D

D

V

A

D

R

L

R

A

A

V

V

E

D

A

A

G

G

A

A

A

G

G

G

I

I

I

V

V

V

S

S

N

N

H
|
H

G

G

R
|
R

T

Q

L

L

D

D

T

G

L

A

P

V

A

P

V

G

A

I

E

E

V

M

L

L

P

G

L

E

V

I

A

V

T

A

R

A

A

V

A

S

G

G

R

G

L

C

P

E

I

V

L

L

A

V

D
|
D

G
|
G

I
|
I

R
|
R

R

S

G

G

T

G

D

D

I

V

L

L

K

K

A

A

L

T

A

A

L

L

G

G

A

A

D

S

A

A

V

V

L
|
L

V

V

G
|
G

Q
x
R

P

P

V

V

L

M

H

W

A

A

L

L

A

A

V

A

G

A

G

G

M

Q

A

D

G

G

V

V

A

R

H

Q

M

L

L

L

T

E

I

L

L

L

Q

A

T

E

E

E

L

V

E

R

V

D

A

A

M

M

A

G

L

L

S

A

G

G

active site: Y127 (= Y133), D155 (= D161), H229 (= H256)
binding 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol: L24 (≠ I29), A75 (= A80), P76 (= P81), V77 (≠ M82), Q125 (= Q131), Y127 (= Y133), T153 (= T159), R162 (= R168), K205 (= K232), H229 (= H256), R232 (= R259), D260 (= D287), G262 (= G289), R264 (= R291), G283 (= G310), R284 (≠ Q311)
binding magnesium ion: D260 (= D287), G261 (= G288), I263 (= I290), L281 (= L308)

Query Sequence

>AZOBR_RS19085 FitnessBrowser__azobra:AZOBR_RS19085
MSVPADTVSLYDYERHFTARVDAATRAYIAGTGADGITRQANRDAYDRMRLMPRALRDLS
GASAATSLFGQAMPYPILIAPMAFHRLVHRDGERATAQAAGLTGTWMTVSTQSSVTLEEV
AAAAGGPLWFQIYTQPRPEDTLALVRRAEAAGYRALVLTVDAPVSGLRNIEQRAGFRLPD
GIAPVNLAGLAPDSFTPTRPGSPVFQGMLHAAASWDTVRWLCAETRLPVLLKGIMNPDDV
DLAVEAGAAGIIVSNHGGRTLDTLPAVAEVLPLVATRAAGRLPILADGGIRRGTDILKAL
ALGADAVLVGQPVLHALAVGGMAGVAHMLTILQTELEVAMALSGRARLADIDRSVIFDPP
RW

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory