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)
35% identity, 86% coverage: 1:120/140 of query aligns to 1:125/135 of P0AC81

query
sites
P0AC81

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H5 (= H5) binding
E56 (= E55) binding
H74 (= H74) binding in other chain
E122 (= E117) binding in other chain

1fa6A Crystal structure of the co(ii)-bound glyoxalase i of escherichia coli (see paper)
35% identity, 86% coverage: 1:120/140 of query aligns to 1:125/128 of 1fa6A

query
sites
1fa6A

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active site: H5 (= H5), E56 (= E55), H74 (= H74), E122 (= E117)
binding cobalt (ii) ion: H5 (= H5), E56 (= E55), H74 (= H74), E122 (= E117)

1fa5A Crystal structure of the zn(ii)-bound glyoxalase i of escherichia coli (see paper)
35% identity, 86% coverage: 1:120/140 of query aligns to 1:125/128 of 1fa5A

query
sites
1fa5A

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active site: H5 (= H5), E56 (= E55), H74 (= H74), E122 (= E117)
binding zinc ion: H5 (= H5), E56 (= E55), H74 (= H74), E122 (= E117)

4x2aA Crystal structure of mouse glyoxalase i complexed with baicalein (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 20:162/167 of 4x2aA

query
sites
4x2aA

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active site: Q20 (≠ H5), E86 (= E55), H113 (= H74), E159 (= E117)
binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: Q20 (≠ H5), F49 (≠ S34), L56 (= L41), F79 (≠ A48), E86 (= E55), H113 (= H74), M144 (= M105), E159 (= E117)
binding zinc ion: Q20 (≠ H5), E86 (= E55), H113 (= H74), E159 (= E117)

Sites not aligning to the query:

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

2za0A Crystal structure of mouse glyoxalase i complexed with methyl-gerfelin (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 31:173/180 of 2za0A

query
sites
2za0A

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active site: Q31 (≠ H5), E97 (= E55), H124 (= H74), E170 (= E117)
binding methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate: Q31 (≠ H5), F65 (= F39), L67 (= L41), F90 (vs. gap), E97 (= E55), H124 (= H74), M155 (= M105), E170 (= E117)
binding zinc ion: Q31 (≠ H5), E97 (= E55), H124 (= H74), E170 (= E117)

4kykA Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 29:171/179 of 4kykA

query
sites
4kykA

H
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active site: Q29 (≠ H5), E95 (= E55), H122 (= H74), E168 (= E117)
binding zinc ion: Q29 (≠ H5), E95 (= E55), H122 (= H74), E168 (= E117)

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)
31% identity, 83% coverage: 5:120/140 of query aligns to 34:176/184 of Q9CPU0

query
sites
Q9CPU0

H
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Q34 (≠ H5) binding
E100 (= E55) binding
H127 (= H74) binding in other chain
E173 (= E117) binding in other chain

4pv5A Crystal structure of mouse glyoxalase i in complexed with 18-beta- glycyrrhetinic acid (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 22:164/170 of 4pv5A

query
sites
4pv5A

H
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K

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active site: Q22 (≠ H5), E88 (= E55), H115 (= H74), E161 (= E117)
binding (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid: R111 (= R70), K139 (≠ R98)
binding zinc ion: Q22 (≠ H5), E88 (= E55)

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
31% identity, 83% coverage: 5:120/140 of query aligns to 27:169/177 of 6l0uB

query
sites
6l0uB

H
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A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

L

Q

T

E

L

T

L

R

Q

R

K

M

L

E

D

S

F

A

P

A

A

G

M

K

K

F

F

T

S

L

L

I

Y

Y

F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

P

T

A

F

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T

T

Y

H

N

N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R
|
R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R
x
K

P

K

P

P

R

D

D
|
D

G
|
G

H

K

M

M

-

K

-

G

-

L

A

A

F

F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S
x
W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q27 (≠ H5), E93 (= E55), H120 (= H74), E166 (= E117)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (= R70), K144 (≠ R98), D148 (= D102), G149 (= G103), W164 (≠ S115)
binding zinc ion: Q27 (≠ H5), E93 (= E55), H120 (= H74), E166 (= E117)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 27:169/177 of 4kykB

query
sites
4kykB

H
x
Q

S

T

M

M

V

L

R

R

V

I

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

L

Q

T

E

L

T

L

R

Q

R

K

M

L

E

D

S

F

A

P

A

A

G

M

K

K

F

F

T

S

L

L

I

Y

Y

F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

P

T

A

F

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T

T

Y

H

N

N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R

R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R
x
K

P

K

P

P

R

D

D

D

G

G

H
x
K

M
|
M

-

K

-

G

-
x
L

A

A

F
|
F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q27 (≠ H5), E93 (= E55), H120 (= H74), E166 (= E117)
binding indomethacin: K144 (≠ R98), K150 (≠ H104), M151 (= M105), L154 (vs. gap), F156 (= F107)
binding zinc ion: Q27 (≠ H5), E93 (= E55), H120 (= H74), E166 (= E117)

4kyhA Crystal structure of mouse glyoxalase i complexed with zopolrestat (see paper)
31% identity, 83% coverage: 5:120/140 of query aligns to 29:171/177 of 4kyhA

query
sites
4kyhA

H
x
Q

S

T

M
|
M

V

L

R
|
R

V

I

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

L

Q

T

E

L

T

L

R

Q

R

K

M

L

E

D

S

F

A

P

A

A

G

M

K

K

F
|
F

T

S

L

L

I

Y

Y

F

L

L

A

A

A

Y

P

E

A

D

-

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T
|
T

Y

H

N
|
N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R

R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R

K

P

K

P

P

R

D

D

D

G

G

H

K

M

M

-

K

-

G

-

L

A

A

F

F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q29 (≠ H5), E95 (= E55), H122 (= H74), E168 (= E117)
binding zinc ion: Q29 (≠ H5), E95 (= E55), H122 (= H74), E168 (= E117)
binding 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid: M31 (= M7), R33 (= R9), F63 (= F39), E95 (= E55), T97 (= T57), N99 (= N59)

2c21A Specificity of the trypanothione-dependednt leishmania major glyoxalase i: structure and biochemical comparison with the human enzyme (see paper)
32% identity, 96% coverage: 4:138/140 of query aligns to 5:137/139 of 2c21A

query
sites
2c21A

L

L

H
|
H

S

T

M

M

V

I

R

R

V

V

R

G

D

D

V

L

D

D

A

R

S

S

L

I

R

K

F

F

F

Y

C

T

D

E

G

R

L

L

G

G

L

M

Q

K

E

V

T

L

R

R

R

K

M

W

E

D

S

V

A

P

A

E

G

D

K

K

F

Y

T

T

L

L

I

V

Y

F

L

L

A

G

-

Y

A

G

P

P

A

E

S

M

P

S

E

S

A

T

E

V

V

L

E
|
E

L

L

T

T

Y

Y

N

N

W

Y

D

G

S

V

D

-

E

T

D

S

Y

Y

G

K

S

H

A

D

R

E

N

A

F

Y

G

G

H
|
H

L

I

A

A

F

I

E

G

V

V

D

E

D

D

I

V

Y

K

R

E

T

L

C

V

R

A

H

D

L

M

Q

R

D

K

L

H

G

D

Y

V

T

P

I

I

N

D

R

Y

P

E

P

D

R

E

D

S

G

G

H

F

M

M

A

A

F

F

V

V

R

V

S

D

P

P

D

D

L

G

I

Y

S

Y

I

I

E
|
E

L

L

Q

N

R

E

D

K

G

T

R

M

L

M

P

E

P

K

Q

A

E

E

P

-

W

-

A

A

S

D

M

M

P

K

N

E

T

Q

G

G

active site: H6 (= H5), E57 (= E55), H75 (= H74), E118 (= E117)
binding nickel (ii) ion: H6 (= H5), E57 (= E55), H75 (= H74), E118 (= E117)

4opnA Crystal structure of mouse glyoxalase i complexed with mah
31% identity, 83% coverage: 5:120/140 of query aligns to 26:168/172 of 4opnA

query
sites
4opnA

H
x
Q

S

T

M

M

V

L

R
|
R

V

I

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

L

Q

T

E

L

T

L

R

Q

R

K

M

L

E

D

S

F

A

P

A

A

G

M

K

K

F
|
F

T

S

L

L

I

Y

Y

F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

P

T

A
x
F

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T
|
T

Y

H

N
|
N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R
|
R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R
x
K

P

K

P

P

R

D

D

D

G

G

H
x
K

M
|
M

-

K

-

G

-
x
L

A

A

F

F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)
binding L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine: Q26 (≠ H5), R30 (= R9), F60 (= F39), F85 (≠ A48), E92 (= E55), T94 (= T57), N96 (= N59), R115 (= R70), H119 (= H74), K143 (≠ R98), K149 (≠ H104), M150 (= M105), L153 (vs. gap), E165 (= E117)
binding zinc ion: Q26 (≠ H5), E92 (= E55)

Sites not aligning to the query:

binding L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine: 172

6bnnA Crystal structure of v278e-glyoxalase i mutant from zea mays in space group p4(1)2(1)2 (see paper)
32% identity, 84% coverage: 4:121/140 of query aligns to 18:140/282 of 6bnnA

query
sites
6bnnA

L

L

H
|
H

S

A

M

V

V

Y

R

R

V

V

R

G

D

D

V

L

D

D

A

R

S

T

L

I

R

K

F

Y

C

T

D

E

G

C

L

F

G

G

L

M

Q

K

E

L

T

L

R

R

R

K

M

R

E

D

S

V

A

P

A

D

G

E

K

K

F

Y

T

T

L

N

I

A

Y

F

L

L

A

G

-

F

A

G

P

P

A

E

S

N

P

T

E

N

A

F

E

A

V

V

E
|
E

L

L

T

T

Y

Y

N

N

W

Y

D

G

S

V

D

D

E

K

D

-

Y

Y

G

D

S

I

A

G

R

T

N

G

F

F

G

G

H
|
H

L

F

A

A

F

I

E

A

V

N

D

D

I

V

Y

Y

R

K

T

L

C

A

R

E

H

N

L

I

Q

K

D

S

L

K

G

G

Y

G

T

K

I

I

N

T

R
|
R

P

E

P

P

-

G

-

P

-
x
V

R
x
K

D

G

G

G

H

S

-

T

-

V

M

I

A

A

F

F

V

A

R

Q

S

D

P

P

D

D

L

G

I

Y

S

M

I

F

E
|
E

L

L

L

I

Q

Q

R

R

active site: H19 (= H5), E70 (= E55), H88 (= H74), E136 (= E117)
binding cobalt (ii) ion: H88 (= H74), E136 (= E117)
binding glutathione: R112 (= R98), V117 (vs. gap), K118 (≠ R101)

Sites not aligning to the query:

5d7zA Crystal structure of glyoxalase i from zea mays (see paper)
32% identity, 84% coverage: 4:121/140 of query aligns to 12:134/281 of 5d7zA

query
sites
5d7zA

L

L

H
|
H

S

A

M

V

V

Y

R

R

V

V

R

G

D

D

V

L

D

D

A

R

S

T

L

I

R

K

F

Y

C

T

D

E

G

C

L

F

G

G

L

M

Q

K

E

L

T

L

R

R

R

K

M

R

E

D

S

V

A

P

A

D

G

E

K

K

F

Y

T

T

L

N

I

A

Y

F

L

L

A

G

-

F

A

G

P

P

A

E

S

N

P

T

E

N

A

F

E

A

V

V

E
|
E

L

L

T

T

Y

Y

N

N

W

Y

D

G

S

V

D

D

E

K

D

-

Y

Y

G

D

S

I

A

G

R

T

N

G

F

F

G

G

H
|
H

L

F

A

A

F

I

E

A

V

N

D

D

I

V

Y

Y

R

K

T

L

C

A

R

E

H

N

L

I

Q

K

D

S

L

K

G

G

Y

G

T

K

I

I

N

T

R

R

P

E

P

P

-

G

-

P

-

V

R

K

D

G

G

G

H

S

-

T

-

V

M

I

A

A

F

F

V

A

R

Q

S

D

P

P

D

D

L

G

I

Y

S

M

I

F

E
|
E

L

L

L

I

Q

Q

R

R

active site: H13 (= H5), E64 (= E55), H82 (= H74), E130 (= E117)

Sites not aligning to the query:

binding nickel (ii) ion: 276, 281

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)
30% identity, 83% coverage: 5:120/140 of query aligns to 34:176/184 of Q04760

query
sites
Q04760

H
x
Q

S

T

M

M

V

L

R

R

V

V

R

K

D

D

V

P

D

K

A

K

S
|
S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

M

Q

T

E

L

T

I

R

Q

R

K

M
x
C

E

D

S

F

A

P

A

I

G

M

K

K

F

F

T
x
S

L

L

I

Y

Y

F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

P

A

A

L

S
|
S

P

R

E

K

A

A

E
x
T

V

L

E
|
E

L

L

T
|
T

Y

H

N

N

W

W

D

G

S
x
T

D

E

E

D

D

D

Y
x
E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R

R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C
|
C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R

K

P

K

P

P

R

D

D

D

G

G

H

K

M

M

-

K

-

G

-

L

A

A

F

F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

Q34 (≠ H5) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (= S16) mutation to A: No effect on phosphorylation.
C61 (≠ M32) 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 (= S49) mutation to A: No effect on phosphorylation.
T98 (≠ E53) mutation to A: No effect on phosphorylation.
E100 (= E55) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T57) mutation to A: No effect on phosphorylation.
T107 (≠ S62) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ Y66) 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 (= E117) 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
30% identity, 83% coverage: 5:120/140 of query aligns to 26:168/176 of 3w0tA

query
sites
3w0tA

H
x
Q

S

T

M

M

V

L

R

R

V

V

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

M

Q

T

E

L

T

I

R

Q

R

K

M

C

E

D

S
x
F

A

P

A

I

G

M

K

K

F
|
F

T

S

L
|
L

I

Y

Y
x
F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

P

A

A

L

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T

T

Y

H

N

N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R

R

N

G

F

F

G

G

H
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H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R

K

P

K

P

P

R

D

D

D

G

G

H

K

M

M

-

K

-

G

-

L

A

A

F

F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
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E

L

I

L

L

Q

N

active site: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H5), F55 (≠ S34), F60 (= F39), L62 (= L41), F64 (≠ Y43), E92 (= E55), H119 (= H74), E165 (= E117)
binding zinc ion: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)

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)
30% identity, 83% coverage: 5:120/140 of query aligns to 26:168/176 of 3vw9A

query
sites
3vw9A

H
x
Q

S

T

M

M

V

L

R

R

V

V

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

M

Q

T

E

L

T

I

R

Q

R

K

M
x
C

E

D

S

F

A

P

A

I

G

M

K

K

F

F

T

S

L
|
L

I

Y

Y

F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

P

A

A

L

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T

T

Y

H

N

N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R

R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R

K

P

K

P

P

R

D

D

D

G

G

H

K

M
|
M

-

K

-

G

-

L

A

A

F
|
F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H5), C53 (≠ M32), L62 (= L41), E92 (= E55), H119 (= H74), M150 (= M105), F155 (= F107), E165 (= E117)
binding zinc ion: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)

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)
30% identity, 83% coverage: 5:120/140 of query aligns to 26:168/176 of 1qipA

query
sites
1qipA

H
x
Q

S

T

M

M

V

L

R
|
R

V

V

R

K

D

D

V

P

D

K

A

K

S

S

L

L

R

D

F

F

F

Y

C

T

D

R

G

V

L

L

G

G

L

M

Q

T

E

L

T

I

R
x
Q

R

K

M
x
C

E

D

S

F

A

P

A

I

G

M

K

K

F
|
F

T

S

L

L

I

Y

Y
x
F

L

L

A

A

A

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

P

A

A
x
L

S

S

P

R

E

K

A

A

E

T

V

L

E
|
E

L

L

T
|
T

Y

H

N
|
N

W

W

D

G

S

T

D

E

E

D

D

D

Y

E

G

T

S

Q

A

S

-

Y

-

H

-

N

-

G

-

N

-

S

-

D

-

P

R
|
R

N

G

F

F

G

G

H
|
H

L

I

A

G

F

I

E

A

V

V

D

P

D

D

I

V

Y

Y

R

S

T

A

C

C

R

K

H

R

L

F

Q

E

D

E

L

L

G

G

Y

V

T

K

I

F

N

V

R

K

P

K

P

P

R

D

D

D

G

G

H

K

M
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M

-

K

-

G

-

L

A

A

F
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F

V

I

R

Q

S

D

P

P

D

D

L

G

I

Y

S

W

I

I

E
|
E

L

I

L

L

Q

N

active site: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R9), Q51 (≠ R30), C53 (≠ M32), F60 (= F39), F64 (≠ Y43), I81 (vs. gap), L85 (≠ A48), T94 (= T57), N96 (= N59), R115 (= R70), M150 (= M105), F155 (= F107)
binding zinc ion: Q26 (≠ H5), E92 (= E55), H119 (= H74), E165 (= E117)

Sites not aligning to the query:

binding s-p-nitrobenzyloxycarbonylglutathione: 172

Query Sequence

>N515DRAFT_3310 FitnessBrowser__Dyella79:N515DRAFT_3310
MKYLHSMVRVRDVDASLRFFCDGLGLQETRRMESAAGKFTLIYLAAPASPEAEVELTYNW
DSDEDYGSARNFGHLAFEVDDIYRTCRHLQDLGYTINRPPRDGHMAFVRSPDLISIELLQ
RDGRLPPQEPWASMPNTGVW

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