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)
64% identity, 99% coverage: 1:127/128 of query aligns to 1:127/135 of P0AC81

query
sites
P0AC81

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H5 (= H5) binding
E56 (= E56) binding
H74 (= H74) binding in other chain
E122 (= E122) binding in other chain

1fa6A Crystal structure of the co(ii)-bound glyoxalase i of escherichia coli (see paper)
63% identity, 98% coverage: 1:126/128 of query aligns to 1:126/128 of 1fa6A

query
sites
1fa6A

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active site: H5 (= H5), E56 (= E56), H74 (= H74), E122 (= E122)
binding cobalt (ii) ion: H5 (= H5), E56 (= E56), H74 (= H74), E122 (= E122)

1fa5A Crystal structure of the zn(ii)-bound glyoxalase i of escherichia coli (see paper)
63% identity, 98% coverage: 1:126/128 of query aligns to 1:126/128 of 1fa5A

query
sites
1fa5A

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active site: H5 (= H5), E56 (= E56), H74 (= H74), E122 (= E122)
binding zinc ion: H5 (= H5), E56 (= E56), H74 (= H74), E122 (= E122)

6bnnA Crystal structure of v278e-glyoxalase i mutant from zea mays in space group p4(1)2(1)2 (see paper)
53% identity, 98% coverage: 2:126/128 of query aligns to 16:140/282 of 6bnnA

query
sites
6bnnA

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active site: H19 (= H5), E70 (= E56), H88 (= H74), E136 (= E122)
binding cobalt (ii) ion: H88 (= H74), E136 (= E122)
binding glutathione: R112 (= R98), V117 (≠ M103), K118 (= K104)

Sites not aligning to the query:

5d7zA Crystal structure of glyoxalase i from zea mays (see paper)
53% identity, 98% coverage: 2:126/128 of query aligns to 10:134/281 of 5d7zA

query
sites
5d7zA

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active site: H13 (= H5), E64 (= E56), H82 (= H74), E130 (= E122)

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)
52% identity, 98% coverage: 2:126/128 of query aligns to 24:149/291 of Q948T6

query
sites
Q948T6

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E78 (= E56) mutation to Q: No effect on the activity.
E145 (= E122) mutation to Q: Loss of activity.

Sites not aligning to the query:

209 E→D: Loss of activity.

2c21A Specificity of the trypanothione-dependednt leishmania major glyoxalase i: structure and biochemical comparison with the human enzyme (see paper)
46% identity, 98% coverage: 2:127/128 of query aligns to 3:123/139 of 2c21A

query
sites
2c21A

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active site: H6 (= H5), E57 (= E56), H75 (= H74), E118 (= E122)
binding nickel (ii) ion: H6 (= H5), E57 (= E56), H75 (= H74), E118 (= E122)

7wt0A Human glyoxalase i (with c-ter his tag) in complex with tlsc702 (see paper)
38% identity, 98% coverage: 3:128/128 of query aligns to 31:178/185 of 7wt0A

query
sites
7wt0A

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binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: C60 (≠ E32), F62 (≠ Y34), L69 (= L41), F71 (= F43), L92 (vs. gap), E99 (= E56), H126 (= H74), K150 (≠ R98), M157 (= M103), L160 (≠ I110), F162 (= F112), E172 (= E122)
binding zinc ion: Q33 (≠ H5), E99 (= E56), H126 (= H74), E172 (= E122)

Sites not aligning to the query:

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: 179, 183

Q04760 Lactoylglutathione lyase; Aldoketomutase; Glyoxalase I; Glx I; Ketone-aldehyde mutase; Methylglyoxalase; S-D-lactoylglutathione methylglyoxal lyase; EC 4.4.1.5 from Homo sapiens (Human) (see 12 papers)
38% identity, 98% coverage: 3:128/128 of query aligns to 32:179/184 of Q04760

query
sites
Q04760

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D
x
E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C
|
C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

Q34 (≠ H5) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (= S16) mutation to A: No effect on phosphorylation.
C61 (≠ E32) modified: Disulfide link with 139, Alternate; mutation to A: No effect on NO-mediated modification.
S69 (≠ T40) mutation to A: No effect on phosphorylation.
S94 (vs. gap) mutation to A: No effect on phosphorylation.
T98 (≠ V54) mutation to A: No effect on phosphorylation.
E100 (= E56) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T58) mutation to A: No effect on phosphorylation.
T107 (vs. gap) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ D62) to A: in dbSNP:rs4746
H127 (= H74) binding in other chain
C139 (= C86) modified: S-glutathionyl cysteine; alternate; modified: Disulfide link with 61, Alternate; mutation to A: Impaired NO-mediated modification. Loss of NO-mediated modification; when associated with A-19 or A-20.
E173 (= E122) active site, Proton donor/acceptor; binding in other chain; mutation to Q: Abolishes enzyme activity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
19 modified: Disulfide link with 20; C → Y: in dbSNP:rs17855424; C→A: No effect on NO-mediated modification. Impaired NO-mediated modification; when associated with A-20. Loss of NO-mediated modification; when associated with A-139.
20 modified: Disulfide link with 19; C→A: No effect on NO-mediated modification. Impaired NO-mediated modification; when associated with A-19. Loss of NO-mediated modification; when associated with A-139.

3w0tA Human glyoxalase i with an n-hydroxypyridone derivative inhibitor
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/176 of 3w0tA

query
sites
3w0tA

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

E

C

D

D

Y
x
F

P

P

D

I

G

M

K

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H5), F55 (≠ Y34), F60 (= F39), L62 (= L41), F64 (= F43), E92 (= E56), H119 (= H74), E165 (= E122)
binding zinc ion: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)

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)
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/176 of 3vw9A

query
sites
3vw9A

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

E
x
C

D

D

Y

F

P

P

D

I

G

M

K

K

F

F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H5), C53 (≠ E32), L62 (= L41), E92 (= E56), H119 (= H74), M150 (= M103), F155 (= F112), E165 (= E122)
binding zinc ion: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)

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)
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/176 of 1qipA

query
sites
1qipA

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R
x
Q

R

K

E
x
C

D

D

Y

F

P

P

D

I

G

M

K

K

F
|
F

T

S

L

L

A

Y

F
|
F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-
x
L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R9), Q51 (≠ R30), C53 (≠ E32), F60 (= F39), F64 (= F43), I81 (vs. gap), L85 (vs. gap), T94 (= T58), N96 (= N60), R115 (vs. gap), M150 (= M103), F155 (= F112)
binding zinc ion: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)

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)
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/176 of 1qinA

query
sites
1qinA

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

E

C

D

D

Y

F

P

P

D

I

G

M

K

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R
x
K

E

K

A

P

-

D

G
|
G

P
x
K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H5), R30 (= R9), F60 (= F39), L62 (= L41), F64 (= F43), E92 (= E56), T94 (= T58), N96 (= N60), R115 (vs. gap), H119 (= H74), K143 (≠ R98), G148 (= G101), K149 (≠ P102), M150 (= M103), E165 (= E122)
binding zinc ion: Q26 (≠ H5), E92 (= E56)

Sites not aligning to the query:

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

1froA Human glyoxalase i with benzyl-glutathione inhibitor (see paper)
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/176 of 1froA

query
sites
1froA

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

E

C

D

D

Y

F

P

P

D

I

G

M

K

K

F
|
F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F
|
F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding s-benzyl-glutathione: R30 (= R9), F60 (= F39), T94 (= T58), N96 (= N60), R115 (vs. gap), M150 (= M103), F155 (= F112), E165 (= E122)
binding zinc ion: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)

Sites not aligning to the query:

binding s-benzyl-glutathione: 176

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
38% identity, 98% coverage: 3:128/128 of query aligns to 24:171/175 of 3w0uA

query
sites
3w0uA

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

E

C

D

D

Y

F

P

P

D

I

G

M

K

K

F
|
F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R
x
K

E

K

A

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H5), F60 (= F39), L62 (= L41), E92 (= E56), H119 (= H74), K143 (≠ R98), M150 (= M103), E165 (= E122)
binding zinc ion: Q26 (≠ H5), E92 (= E56), H119 (= H74), E165 (= E122)

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

2za0A Crystal structure of mouse glyoxalase i complexed with methyl-gerfelin (see paper)
38% identity, 98% coverage: 3:128/128 of query aligns to 29:176/180 of 2za0A

query
sites
2za0A

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

E

L

D

D

Y

F

P

P

D

A

G

M

K

K

F
|
F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-
x
F

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
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H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M
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M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
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E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q31 (≠ H5), E97 (= E56), H124 (= H74), E170 (= E122)
binding methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate: Q31 (≠ H5), F65 (= F39), L67 (= L41), F90 (vs. gap), E97 (= E56), H124 (= H74), M155 (= M103), E170 (= E122)
binding zinc ion: Q31 (≠ H5), E97 (= E56), H124 (= H74), E170 (= E122)

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)
38% identity, 98% coverage: 3:128/128 of query aligns to 32:179/184 of Q9CPU0

query
sites
Q9CPU0

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

E

L

D

D

Y

F

P

P

D

A

G

M

K

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R

K

E

K

A

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
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E

F

I

I

L

Q

N

K

P

K

N

K

K

Q34 (≠ H5) binding
E100 (= E56) binding
H127 (= H74) binding in other chain
E173 (= E122) binding in other chain

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
38% identity, 98% coverage: 3:128/128 of query aligns to 25:172/177 of 6l0uB

query
sites
6l0uB

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

E

L

D

D

Y

F

P

P

D

A

G

M

K

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R
x
K

E

K

A

P

-

D

-
x
D

G
|
G

P

K

M

M

K

K

H

G

G

-

T

-

V

-

I

L

A

A

F

F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q27 (≠ H5), E93 (= E56), H120 (= H74), E166 (= E122)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (vs. gap), K144 (≠ R98), D148 (vs. gap), G149 (= G101), W164 (≠ K120)
binding zinc ion: Q27 (≠ H5), E93 (= E56), H120 (= H74), E166 (= E122)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
38% identity, 98% coverage: 3:128/128 of query aligns to 25:172/177 of 4kykB

query
sites
4kykB

L

L

L

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

G

K

D

D

L

P

D

K

R

K

S

S

I

L

A

D

F

F

Y

Y

T

T

E

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

E

L

D

D

Y

F

P

P

D

A

G

M

K

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

T

E

D

D

E

K

R

N

D

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

-

S

-

R

G

K

T

A

V

T

I

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

P

Q

A

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

V

I

E

A

V

V

E

P

D

D

A

V

Y

Y

A

S

A

A

C

C

D

K

K

R

I

F

K

E

A

E

Q

L

G

G

G

V

T

K

V

F

V

V

R
x
K

E

K

A

P

-

D

G

G

P
x
K

M
|
M

K

K

H

G

G

-

T

-

V

-

I
x
L

A

A

F
|
F

V

I

T

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

F

I

I

L

Q

N

K

P

K

N

K

K

active site: Q27 (≠ H5), E93 (= E56), H120 (= H74), E166 (= E122)
binding indomethacin: K144 (≠ R98), K150 (≠ P102), M151 (= M103), L154 (≠ I110), F156 (= F112)
binding zinc ion: Q27 (≠ H5), E93 (= E56), H120 (= H74), E166 (= E122)

Query Sequence

>H281DRAFT_04643 FitnessBrowser__Burk376:H281DRAFT_04643
MRLLHTMLRVGDLDRSIAFYTELLGMKLLRREDYPDGKFTLAFVGYTDERDGTVIELTHN
WDTPAYDLGNGFGHLAVEVEDAYAACDKIKAQGGTVVREAGPMKHGTTVIAFVTDPDGYK
IEFIQKKK

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