SitesBLAST

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)
55% identity, 95% coverage: 7:173/175 of query aligns to 14:180/184 of Q9CPU0

query
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Q9CPU0

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Q34 (≠ H27) binding
E100 (= E93) binding
H127 (= H120) binding in other chain
E173 (= E166) binding in other chain

4opnA Crystal structure of mouse glyoxalase i complexed with mah
55% identity, 95% coverage: 7:173/175 of query aligns to 6:172/172 of 4opnA

query
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4opnA

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active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine: Q26 (≠ H27), R30 (= R31), F60 (= F61), F85 (≠ K86), E92 (= E93), T94 (= T95), N96 (= N97), R115 (= R116), H119 (= H120), K143 (= K144), K149 (≠ R150), M150 (= M151), L153 (= L154), E165 (= E166), I172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93)

4kykA Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
55% identity, 95% coverage: 7:173/175 of query aligns to 9:175/179 of 4kykA

query
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4kykA

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active site: Q29 (≠ H27), E95 (= E93), H122 (= H120), E168 (= E166)
binding zinc ion: Q29 (≠ H27), E95 (= E93), H122 (= H120), E168 (= E166)

2za0A Crystal structure of mouse glyoxalase i complexed with methyl-gerfelin (see paper)
55% identity, 95% coverage: 7:173/175 of query aligns to 11:177/180 of 2za0A

query
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2za0A

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active site: Q31 (≠ H27), E97 (= E93), H124 (= H120), E170 (= E166)
binding methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate: Q31 (≠ H27), F65 (= F61), L67 (= L63), F90 (≠ K86), E97 (= E93), H124 (= H120), M155 (= M151), E170 (= E166)
binding zinc ion: Q31 (≠ H27), E97 (= E93), H124 (= H120), E170 (= E166)

4pv5A Crystal structure of mouse glyoxalase i in complexed with 18-beta- glycyrrhetinic acid (see paper)
55% identity, 95% coverage: 7:173/175 of query aligns to 2:168/170 of 4pv5A

query
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4pv5A

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active site: Q22 (≠ H27), E88 (= E93), H115 (= H120), E161 (= E166)
binding (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid: R111 (= R116), K139 (= K144)
binding zinc ion: Q22 (≠ H27), E88 (= E93)

4x2aA Crystal structure of mouse glyoxalase i complexed with baicalein (see paper)
56% identity, 93% coverage: 11:173/175 of query aligns to 4:166/167 of 4x2aA

query
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4x2aA

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active site: Q20 (≠ H27), E86 (= E93), H113 (= H120), E159 (= E166)
binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: Q20 (≠ H27), F49 (= F56), L56 (= L63), F79 (≠ K86), E86 (= E93), H113 (= H120), M144 (= M151), E159 (= E166), I166 (≠ L173)
binding zinc ion: Q20 (≠ H27), E86 (= E93), H113 (= H120), E159 (= E166)

Sites not aligning to the query:

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

3w0tA Human glyoxalase i with an n-hydroxypyridone derivative inhibitor
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/176 of 3w0tA

query
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3w0tA

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R

K

M

M

N

K

H

G

L

L

A

A

F

F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H27), F55 (= F56), F60 (= F61), L62 (= L63), F64 (= F65), E92 (= E93), H119 (= H120), E165 (= E166), M172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

Sites not aligning to the query:

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

3vw9A Human glyoxalase i with an n-hydroxypyridone inhibitor (see paper)
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/176 of 3vw9A

query
sites
3vw9A

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R
x
C

D

D

F

F

P

P

E

I

A

M

A

K

F

F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R

R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L

L

A

A

F
|
F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H27), C53 (≠ R54), L62 (= L63), E92 (= E93), H119 (= H120), M150 (= M151), F155 (= F156), E165 (= E166), M172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

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: 176

1qipA Human glyoxalase i complexed with s-p- nitrobenzyloxycarbonylglutathione (see paper)
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/176 of 1qipA

query
sites
1qipA

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D
x
Q

K

K

R
x
C

D

D

F

F

P

P

E

I

A

M

A

K

F
|
F

S

S

L

L

Y

Y

F
|
F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H
x
I

Q

A

W

W

M

A

K
x
L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R
|
R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L

L

A

A

F
|
F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R31), Q51 (≠ D52), C53 (≠ R54), F60 (= F61), F64 (= F65), I81 (≠ H82), L85 (≠ K86), T94 (= T95), N96 (= N97), R115 (= R116), M150 (= M151), F155 (= F156), M172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

1qinA Human glyoxalase i complexed with s-(n-hydroxy-n-p- iodophenylcarbamoyl) glutathione (see paper)
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/176 of 1qinA

query
sites
1qinA

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R

C

D

D

F

F

P

P

E

I

A

M

A

K

F
|
F

S

S

L
|
L

Y

Y

F
|
F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R
|
R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K
|
K

R

K

L

P

Q

D

D

D

G
|
G

R
x
K

M
|
M

N

K

H

G

L

L

A

A

F

F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H27), R30 (= R31), F60 (= F61), L62 (= L63), F64 (= F65), E92 (= E93), T94 (= T95), N96 (= N97), R115 (= R116), H119 (= H120), K143 (= K144), G148 (= G149), K149 (≠ R150), M150 (= M151), E165 (= E166), M172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93)

1froA Human glyoxalase i with benzyl-glutathione inhibitor (see paper)
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/176 of 1froA

query
sites
1froA

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R

C

D

D

F

F

P

P

E

I

A

M

A

K

F
|
F

S

S

L

L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R
|
R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L

L

A

A

F
|
F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L

M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding s-benzyl-glutathione: R30 (= R31), F60 (= F61), T94 (= T95), N96 (= N97), R115 (= R116), M150 (= M151), F155 (= F156), E165 (= E166)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

Sites not aligning to the query:

binding s-benzyl-glutathione: 176

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/175 of 3w0uA

query
sites
3w0uA

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R

C

D

D

F

F

P

P

E

I

A

M

A

K

F
|
F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R

R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K
|
K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L

L

A

A

F

F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

active site: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H27), F60 (= F61), L62 (= L63), E92 (= E93), H119 (= H120), K143 (= K144), M150 (= M151), E165 (= E166), M172 (≠ L173)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

7wt0A Human glyoxalase i (with c-ter his tag) in complex with tlsc702 (see paper)
57% identity, 90% coverage: 17:173/175 of query aligns to 23:179/185 of 7wt0A

query
sites
7wt0A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R
x
C

D

D

F
|
F

P

P

E

I

A

M

A

K

F

F

S

S

L
|
L

Y

Y

F
|
F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K
x
L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R

R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K
|
K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L
|
L

A

A

F
|
F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

I

I

L

Q

N

P

P

T

N

E

K

L
x
M

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: C60 (≠ R54), F62 (= F56), L69 (= L63), F71 (= F65), L92 (≠ K86), E99 (= E93), H126 (= H120), K150 (= K144), M157 (= M151), L160 (= L154), F162 (= F156), E172 (= E166), M179 (≠ L173)
binding zinc ion: Q33 (≠ H27), E99 (= E93), H126 (= H120), E172 (= E166)

Sites not aligning to the query:

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: 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)
57% identity, 90% coverage: 17:173/175 of query aligns to 24:180/184 of Q04760

query
sites
Q04760

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

I

P

E

K

K

K

S
|
S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R
x
C

D

D

F

F

P

P

E

I

A

M

A

K

F

F

S
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S

L

L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S
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S

I

R

P

K

G

A

V
x
T

L

L

E
|
E

L

L

T
|
T

H

H

N

N

H

W

G

G

T
|
T

E

E

N

D

D

D

A
x
E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R

R

G

G

F

F

G

G

H
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H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C
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C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M

M

N

K

H

G

L

L

A

A

F

F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
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E

V

I

I

L

Q

N

P

P

T

N

E

K

L

M

Q34 (≠ H27) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (= S38) mutation to A: No effect on phosphorylation.
C61 (≠ R54) modified: Disulfide link with 139, Alternate; mutation to A: No effect on NO-mediated modification.
S69 (= S62) mutation to A: No effect on phosphorylation.
S94 (= S87) mutation to A: No effect on phosphorylation.
T98 (≠ V91) mutation to A: No effect on phosphorylation.
E100 (= E93) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T95) mutation to A: No effect on phosphorylation.
T107 (= T100) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ A104) to A: in dbSNP:rs4746
H127 (= H120) binding in other chain
C139 (= C132) 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 (= E166) 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.

7wszA Human glyoxalase i (with c-ter his tag) in glycerol-bound form (see paper)
56% identity, 93% coverage: 12:173/175 of query aligns to 11:172/183 of 7wszA

query
sites
7wszA

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V
x
I

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x
Q

K
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K

R

C

D

D

F

F

P

P

E

I

A

M

A

K

F

F

S

S

L

L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R
x
K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T

T

H

H

N

N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R

R

G

G

F

F

G

G

H
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H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M
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M

N

K

H

G

L

L

A

A

F

F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
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E

V

I

I

L

Q

N

P

P

T

N

E

K

L

M

binding glycerol: I50 (≠ V51), Q51 (≠ D52), K52 (= K53), K80 (≠ R81), H119 (= H120), M150 (= M151), E165 (= E166)
binding zinc ion: Q26 (≠ H27), E92 (= E93), H119 (= H120), E165 (= E166)

Sites not aligning to the query:

binding glycerol: 176

1bh5A Human glyoxalase i q33e, e172q double mutant (see paper)
55% identity, 93% coverage: 12:173/175 of query aligns to 12:173/177 of 1bh5A

query
sites
1bh5A

V

C

T

C

A

S

Q

D

P

A

D

D

A

P

A

S

T

T

A

K

Q

D

F

F

V

L

F

L

N

Q

H
x
E

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

I

P

E

K

K

K

S

S

L

L

D

D

F

F

Y

Y

T

T

R

R

V

V

L

L

G

G

F

M

R

T

L

L

V

I

D

Q

K

K

R

C

D

D

F

F

P

P

E

I

A

M

A

K

F
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F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

L

Y

V

E

D

D

P

K

A

N

Q

D

I

I

P

P

A

K

D

E

D

K

T

D

A

E

R

K

H

I

Q

A

W

W

M

A

K

L

S

S

I

R

P

K

G

A

V

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

H

W

G

G

T

T

E

E

N

D

D

D

A

E

D

T

F

Q

A

S

Y

Y

H

H

N

N

G

G

N

N

T

S

D

D

P

P

R
|
R

G

G

F

F

G

G

H
|
H

I

I

C

G

I

I

S

A

V

V

P

P

D

D

V

V

R

Y

A

S

A

A

C

C

A

K

R

R

F

F

E

E

L

L

E

G

V

V

P

K

F

F

Q

V

K

K

R

K

L

P

Q

D

D

D

G

G

R

K

M
|
M

N

K

H

G

L

L

A

A

F
|
F

V

I

K

Q

D

D

P

P

D

D

G

G

Y

Y

W

W

V

I

E
x
Q

V

I

I

L

Q

N

P

P

T

N

E

K

L

M

active site: E27 (≠ H27), E93 (= E93), H120 (= H120), Q166 (≠ E166)
binding s-hexylglutathione: R31 (= R31), F61 (= F61), L63 (= L63), T95 (= T95), N97 (= N97), R116 (= R116), M151 (= M151), F156 (= F156)
binding zinc ion: E27 (≠ H27), E93 (= E93), H120 (= H120), Q166 (≠ E166)

P50107 Glyoxalase I; Glx I; Aldoketomutase; Ketone-aldehyde mutase; Methylglyoxalase; S-D-lactoylglutathione methylglyoxal lyase; actoylglutathione lyase; EC 4.4.1.5 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
47% identity, 83% coverage: 23:168/175 of query aligns to 21:165/326 of P50107

query
sites
P50107

F

L

V

L

F

L

N

N

H

H

T

T

M

C

L

L

R

R

V

V

K

K

D

D

I

P

E

A

K

R

S

T

L

V

D

K

F

F

Y

Y

T

T

R

E

V

H

L

F

G

G

F

M

R

K

L

L

V

L

D

S

K

R

R

K

D

D

F

F

P

E

E

E

A

A

A

K

F

F

S

S

L

L

Y

Y

F

F

L

L

A

S

L

F

V

-

D

-

P

-

A

-

Q

-

I

-

P

P

A

K

D

D

T

I

A

P

R

K

H

N

Q

K

W

N

M

G

K

E

-

P

-

D

-

V

-

F

S

S

I

A

P

H

G

G

V

V

L

L

E

E

L

L

T

T

H

H

N

N

H

W

G

G

T

T

E

E

N

K

D

N

A

P

D

D

F

Y

A

K

Y

I

H

N

N

N

G

G

N

N

T

E

D

E

P

P

-

H

R

R

G

G

F

F

G

G

H

H

I

I

C

C

I

F

S

S

V

V

P

S

D

D

V

I

R

N

A

K

A

T

C

C

A

E

R

E

F

L

E

E

E

S

L

Q

E

G

V

V

P

K

F

F

Q

K

K

K

R

R

L

L

Q

S

D

E

G

G

R

R

M

Q

N

K

H

D

L

I

A

A

F

F

V

A

K

L

D

G

P

P

D

D

G

G

Y

Y

W

W

V

I

E
|
E

V

L

I

I

E163 (= E166) active site, Proton donor/acceptor

Sites not aligning to the query:

318 active site, Proton donor/acceptor

Query Sequence

>PP_3766 FitnessBrowser__Putida:PP_3766
MSLHDLQTLPGVTAQPDAATAQFVFNHTMLRVKDIEKSLDFYTRVLGFRLVDKRDFPEAA
FSLYFLALVDPAQIPADDTARHQWMKSIPGVLELTHNHGTENDADFAYHNGNTDPRGFGH
ICISVPDVRAACARFEELEVPFQKRLQDGRMNHLAFVKDPDGYWVEVIQPTELEG

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