SitesBLAST

P0AC81 Lactoylglutathione lyase; Aldoketomutase; Glyoxalase I; Glx I; Ketone-aldehyde mutase; Methylglyoxalase; S-D-lactoylglutathione methylglyoxal lyase; EC 4.4.1.5 from Escherichia coli (strain K12) (see paper)
59% identity, 98% coverage: 4:131/131 of query aligns to 1:127/135 of P0AC81

query
sites
P0AC81

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H5 (= H8) binding
E56 (= E59) binding
H74 (= H78) binding in other chain
E122 (= E126) binding in other chain

1fa6A Crystal structure of the co(ii)-bound glyoxalase i of escherichia coli (see paper)
59% identity, 96% coverage: 4:129/131 of query aligns to 1:125/128 of 1fa6A

query
sites
1fa6A

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active site: H5 (= H8), E56 (= E59), H74 (= H78), E122 (= E126)
binding cobalt (ii) ion: H5 (= H8), E56 (= E59), H74 (= H78), E122 (= E126)

1fa5A Crystal structure of the zn(ii)-bound glyoxalase i of escherichia coli (see paper)
59% identity, 96% coverage: 4:129/131 of query aligns to 1:125/128 of 1fa5A

query
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1fa5A

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active site: H5 (= H8), E56 (= E59), H74 (= H78), E122 (= E126)
binding zinc ion: H5 (= H8), E56 (= E59), H74 (= H78), E122 (= E126)

6bnnA Crystal structure of v278e-glyoxalase i mutant from zea mays in space group p4(1)2(1)2 (see paper)
46% identity, 95% coverage: 5:129/131 of query aligns to 16:139/282 of 6bnnA

query
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6bnnA

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active site: H19 (= H8), E70 (= E59), H88 (= H78), E136 (= E126)
binding cobalt (ii) ion: H88 (= H78), E136 (= E126)
binding glutathione: R112 (= R102), V117 (≠ M107), K118 (= K108)

Sites not aligning to the query:

5d7zA Crystal structure of glyoxalase i from zea mays (see paper)
46% identity, 95% coverage: 5:129/131 of query aligns to 10:133/281 of 5d7zA

query
sites
5d7zA

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active site: H13 (= H8), E64 (= E59), H82 (= H78), E130 (= E126)

Sites not aligning to the query:

binding nickel (ii) ion: 276, 281

Q948T6 Lactoylglutathione lyase; Aldoketomutase; Allergen Glb33; Glyoxalase I; Glx I; Glyoxylase I 11; OsGLYI-11; OsGLYI11; Ketone-aldehyde mutase; Methylglyoxalase; PP33; S-D-lactoylglutathione methylglyoxal lyase; Allergen Ory s Glyoxalase I; EC 4.4.1.5 from Oryza sativa subsp. japonica (Rice) (see paper)
46% identity, 95% coverage: 5:129/131 of query aligns to 24:148/291 of Q948T6

query
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Q948T6

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E78 (= E59) mutation to Q: No effect on the activity.
E145 (= E126) mutation to Q: Loss of activity.

Sites not aligning to the query:

209 E→D: Loss of activity.

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
40% identity, 96% coverage: 4:129/131 of query aligns to 23:169/177 of 6l0uB

query
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6l0uB

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active site: Q27 (≠ H8), E93 (= E59), H120 (= H78), E166 (= E126)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (vs. gap), K144 (≠ R102), D148 (vs. gap), G149 (= G105), W164 (≠ K124)
binding zinc ion: Q27 (≠ H8), E93 (= E59), H120 (= H78), E166 (= E126)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 23:169/177 of 4kykB

query
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4kykB

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active site: Q27 (≠ H8), E93 (= E59), H120 (= H78), E166 (= E126)
binding indomethacin: K144 (≠ R102), K150 (≠ P106), M151 (= M107), L154 (≠ I114), F156 (= F116)
binding zinc ion: Q27 (≠ H8), E93 (= E59), H120 (= H78), E166 (= E126)

4kyhA Crystal structure of mouse glyoxalase i complexed with zopolrestat (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 25:171/177 of 4kyhA

query
sites
4kyhA

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L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q29 (≠ H8), E95 (= E59), H122 (= H78), E168 (= E126)
binding zinc ion: Q29 (≠ H8), E95 (= E59), H122 (= H78), E168 (= E126)
binding 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid: M31 (= M10), R33 (= R12), F63 (= F42), E95 (= E59), T97 (= T61), N99 (= N63)

3w0tA Human glyoxalase i with an n-hydroxypyridone derivative inhibitor
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/176 of 3w0tA

query
sites
3w0tA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

N

C

D

D

Y
x
F

E

P

G

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H8), F55 (≠ Y37), F60 (= F42), L62 (= L44), F64 (= F46), E92 (= E59), H119 (= H78), E165 (= E126)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)

Sites not aligning to the query:

binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: 172, 176

3vw9A Human glyoxalase i with an n-hydroxypyridone inhibitor (see paper)
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/176 of 3vw9A

query
sites
3vw9A

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

N
x
C

D

D

Y

F

E

P

G

I

G

M

R

K

F

F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H8), C53 (≠ N35), L62 (= L44), E92 (= E59), H119 (= H78), M150 (= M107), F155 (= F116), E165 (= E126)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)

Sites not aligning to the query:

binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: 172, 176

1qipA Human glyoxalase i complexed with s-p- nitrobenzyloxycarbonylglutathione (see paper)
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/176 of 1qipA

query
sites
1qipA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R
x
Q

R

K

N
x
C

D

D

Y

F

E

P

G

I

G

M

R

K

F
|
F

T

S

L

L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-
x
L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-
x
R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R12), Q51 (≠ R33), C53 (≠ N35), F60 (= F42), F64 (= F46), I81 (vs. gap), L85 (vs. gap), T94 (= T61), N96 (= N63), R115 (vs. gap), M150 (= M107), F155 (= F116)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)

Sites not aligning to the query:

binding s-p-nitrobenzyloxycarbonylglutathione: 172

1qinA Human glyoxalase i complexed with s-(n-hydroxy-n-p- iodophenylcarbamoyl) glutathione (see paper)
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/176 of 1qinA

query
sites
1qinA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

N

C

D

D

Y

F

E

P

G

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-
x
R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R
x
K

P

K

P

P

-

D

G
|
G

P
x
K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H8), R30 (= R12), F60 (= F42), L62 (= L44), F64 (= F46), E92 (= E59), T94 (= T61), N96 (= N63), R115 (vs. gap), H119 (= H78), K143 (≠ R102), G148 (= G105), K149 (≠ P106), M150 (= M107), E165 (= E126)
binding zinc ion: Q26 (≠ H8), E92 (= E59)

Sites not aligning to the query:

binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: 172

1froA Human glyoxalase i with benzyl-glutathione inhibitor (see paper)
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/176 of 1froA

query
sites
1froA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

N

C

D

D

Y

F

E

P

G

I

G

M

R

K

F
|
F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-
x
R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding s-benzyl-glutathione: R30 (= R12), F60 (= F42), T94 (= T61), N96 (= N63), R115 (vs. gap), M150 (= M107), F155 (= F116), E165 (= E126)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)

Sites not aligning to the query:

binding s-benzyl-glutathione: 176

Q9CPU0 Lactoylglutathione lyase; Aldoketomutase; Glyoxalase I; Glx I; Ketone-aldehyde mutase; Methylglyoxalase; S-D-lactoylglutathione methylglyoxal lyase; EC 4.4.1.5 from Mus musculus (Mouse) (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 30:176/184 of Q9CPU0

query
sites
Q9CPU0

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

N

L

D

D

Y

F

E

P

G

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

Q34 (≠ H8) binding
E100 (= E59) binding
H127 (= H78) binding in other chain
E173 (= E126) binding in other chain

4kykA Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 25:171/179 of 4kykA

query
sites
4kykA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

N

L

D

D

Y

F

E

P

G

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q29 (≠ H8), E95 (= E59), H122 (= H78), E168 (= E126)
binding zinc ion: Q29 (≠ H8), E95 (= E59), H122 (= H78), E168 (= E126)

4x2aA Crystal structure of mouse glyoxalase i complexed with baicalein (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 16:162/167 of 4x2aA

query
sites
4x2aA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

N

L

D

D

Y
x
F

E

P

G

A

G

M

R

K

F

F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-
x
F

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R

K

P

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q20 (≠ H8), E86 (= E59), H113 (= H78), E159 (= E126)
binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: Q20 (≠ H8), F49 (≠ Y37), L56 (= L44), F79 (vs. gap), E86 (= E59), H113 (= H78), M144 (= M107), E159 (= E126)
binding zinc ion: Q20 (≠ H8), E86 (= E59), H113 (= H78), E159 (= E126)

Sites not aligning to the query:

binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: 166, 167

4pv5A Crystal structure of mouse glyoxalase i in complexed with 18-beta- glycyrrhetinic acid (see paper)
40% identity, 96% coverage: 4:129/131 of query aligns to 18:164/170 of 4pv5A

query
sites
4pv5A

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

N

L

D

D

Y

F

E

P

G

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-
x
R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R
x
K

P

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q22 (≠ H8), E88 (= E59), H115 (= H78), E161 (= E126)
binding (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid: R111 (vs. gap), K139 (≠ R102)
binding zinc ion: Q22 (≠ H8), E88 (= E59)

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
41% identity, 96% coverage: 4:129/131 of query aligns to 22:168/175 of 3w0uA

query
sites
3w0uA

F

F

R

L

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

Y

K

D

D

L

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

N

C

D

D

Y

F

E

P

G

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

G

E

D

D

E

K

K

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

T

K

A

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

D

Q

E

A

T

E

Q

P

S

Y

Y

A

H

I

N

G

G

T

N

A

S

-

D

-

P

-

R

-

G

Y

F

G

G

H
|
H

I

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

A

S

T

A

C

C

E

K

Q

R

L

F

A

E

K

E

E

L

G

G

V

V

K

K

I

F

P

V

R
x
K

P

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

I

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

V

I

E
|
E

L

I

I

L

E

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H8), F60 (= F42), L62 (= L44), E92 (= E59), H119 (= H78), K143 (≠ R102), M150 (= M107), E165 (= E126)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H78), E165 (= E126)

Sites not aligning to the query:

binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: 172

Query Sequence

>AZOBR_RS07390 FitnessBrowser__azobra:AZOBR_RS07390
MSQFRLLHTMLRVYDLEKSLDFYTRLLGMKLLRRNDYEGGRFTLAFVGYGDEKDTAVLEL
THNWDQAEPYAIGTAYGHIALGVPDIYATCEQLAKEGVKIPRPPGPMKHGTTVIAFIEDP
DGYKVELIETK

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