SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_086509516.1 NCBI__GCF_002151265.1:WP_086509516.1 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)

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)
49% identity, 92% coverage: 14:175/177 of query aligns to 23:183/184 of Q9CPU0

query
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Q9CPU0

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Q34 (≠ H25) binding
E100 (= E92) binding
H127 (= H119) binding in other chain
E173 (= E165) binding in other chain

4kykA Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
49% identity, 92% coverage: 14:175/177 of query aligns to 18:178/179 of 4kykA

query
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4kykA

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active site: Q29 (≠ H25), E95 (= E92), H122 (= H119), E168 (= E165)
binding zinc ion: Q29 (≠ H25), E95 (= E92), H122 (= H119), E168 (= E165)

2za0A Crystal structure of mouse glyoxalase i complexed with methyl-gerfelin (see paper)
49% identity, 92% coverage: 14:175/177 of query aligns to 20:180/180 of 2za0A

query
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2za0A

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active site: Q31 (≠ H25), E97 (= E92), H124 (= H119), E170 (= E165)
binding methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate: Q31 (≠ H25), F65 (= F59), L67 (= L61), F90 (= F85), E97 (= E92), H124 (= H119), M155 (= M150), E170 (= E165)
binding zinc ion: Q31 (≠ H25), E97 (= E92), H124 (= H119), E170 (= E165)

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
49% identity, 92% coverage: 14:175/177 of query aligns to 16:176/177 of 6l0uB

query
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6l0uB

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active site: Q27 (≠ H25), E93 (= E92), H120 (= H119), E166 (= E165)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (≠ Q115), K144 (= K143), D148 (≠ Q147), G149 (= G148), W164 (= W163)
binding zinc ion: Q27 (≠ H25), E93 (= E92), H120 (= H119), E166 (= E165)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
49% identity, 92% coverage: 14:175/177 of query aligns to 16:176/177 of 4kykB

query
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4kykB

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active site: Q27 (≠ H25), E93 (= E92), H120 (= H119), E166 (= E165)
binding indomethacin: K144 (= K143), K150 (= K149), M151 (= M150), L154 (≠ V153), F156 (= F155)
binding zinc ion: Q27 (≠ H25), E93 (= E92), H120 (= H119), E166 (= E165)

4kyhA Crystal structure of mouse glyoxalase i complexed with zopolrestat (see paper)
50% identity, 91% coverage: 14:174/177 of query aligns to 18:177/177 of 4kyhA

query
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4kyhA

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active site: Q29 (≠ H25), E95 (= E92), H122 (= H119), E168 (= E165)
binding zinc ion: Q29 (≠ H25), E95 (= E92), H122 (= H119), E168 (= E165)
binding 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid: M31 (= M27), R33 (= R29), F63 (= F59), E95 (= E92), T97 (= T94), N99 (= N96)

4x2aA Crystal structure of mouse glyoxalase i complexed with baicalein (see paper)
50% identity, 90% coverage: 14:173/177 of query aligns to 9:167/167 of 4x2aA

query
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4x2aA

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D

N

R

K

L
x
I

S
x
A

active site: Q20 (≠ H25), E86 (= E92), H113 (= H119), E159 (= E165)
binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: Q20 (≠ H25), F49 (= F54), L56 (= L61), F79 (= F85), E86 (= E92), H113 (= H119), M144 (= M150), E159 (= E165), I166 (≠ L172), A167 (≠ S173)
binding zinc ion: Q20 (≠ H25), E86 (= E92), H113 (= H119), E159 (= E165)

4pv5A Crystal structure of mouse glyoxalase i in complexed with 18-beta- glycyrrhetinic acid (see paper)
50% identity, 91% coverage: 14:174/177 of query aligns to 11:170/170 of 4pv5A

query
sites
4pv5A

P

P

T

D

A

P

D

S

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

I

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

L

R

T

V

L

M

L

R

Q

R

K

L

L

D

D

F

F

E

P

E

A

M

M

S

K

F

F

S

S

L

L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

D

Q

K

G

S

E

E

R

K

T

T

V

A

W

W

T

T

F

F

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K
|
K

R

K

S

P

D

D

Q

D

G

G

K

K

M

M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L

I

S

A

A

T

active site: Q22 (≠ H25), E88 (= E92), H115 (= H119), E161 (= E165)
binding (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid: R111 (≠ Q115), K139 (= K143)
binding zinc ion: Q22 (≠ H25), E88 (= E92)

4opnA Crystal structure of mouse glyoxalase i complexed with mah
50% identity, 90% coverage: 14:172/177 of query aligns to 15:172/172 of 4opnA

query
sites
4opnA

P

P

T

D

A

P

D

S

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

I

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

L

R

T

V

L

M

L

R

Q

R

K

L

L

D

D

F

F

E

P

E

A

M

M

S

K

F
|
F

S

S

L

L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

D

Q

K

G

S

E

E

R

K

T

T

V

A

W

W

T

T

F
|
F

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K
|
K

R

K

S

P

D

D

Q

D

G

G

K
|
K

M
|
M

K

K

D

G

V
x
L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
I

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine: Q26 (≠ H25), R30 (= R29), F60 (= F59), F85 (= F85), E92 (= E92), T94 (= T94), N96 (= N96), R115 (≠ Q115), H119 (= H119), K143 (= K143), K149 (= K149), M150 (= M150), L153 (≠ V153), E165 (= E165), I172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92)

7wt0A Human glyoxalase i (with c-ter his tag) in complex with tlsc702 (see paper)
49% identity, 89% coverage: 18:175/177 of query aligns to 26:182/185 of 7wt0A

query
sites
7wt0A

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L
x
C

D

D

F
|
F

E

P

E

I

M

M

S

K

F

F

S

S

L
|
L

Y

Y

F
|
F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F
x
L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K
|
K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V
x
L

I

A

F
|
F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: C60 (≠ L52), F62 (= F54), L69 (= L61), F71 (= F63), L92 (≠ F85), E99 (= E92), H126 (= H119), K150 (= K143), M157 (= M150), L160 (≠ V153), F162 (= F155), E172 (= E165), M179 (≠ L172)
binding zinc ion: Q33 (≠ H25), E99 (= E92), H126 (= H119), E172 (= E165)

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)
49% identity, 89% coverage: 18:175/177 of query aligns to 27:183/184 of Q04760

query
sites
Q04760

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A
x
S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L
x
C

D

D

F

F

E

P

E

I

M

M

S

K

F

F

S
|
S

L

L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S
|
S

Q

R

T

K

G

A

L
x
T

L

L

E
|
E

L

L

T
|
T

H

H

N

N

W

W

G

G

T
|
T

E

E

S

D

Q

D

D
x
E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E
x
C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M

M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L

M

S

A

A

T

L

L

Q34 (≠ H25) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (≠ A36) mutation to A: No effect on phosphorylation.
C61 (≠ L52) modified: Disulfide link with 139, Alternate; mutation to A: No effect on NO-mediated modification.
S69 (= S60) mutation to A: No effect on phosphorylation.
S94 (= S86) mutation to A: No effect on phosphorylation.
T98 (≠ L90) mutation to A: No effect on phosphorylation.
E100 (= E92) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T94) mutation to A: No effect on phosphorylation.
T107 (= T99) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ D103) to A: in dbSNP:rs4746
H127 (= H119) binding in other chain
C139 (≠ E131) 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 (= E165) 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
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/176 of 3w0tA

query
sites
3w0tA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L

C

D

D

F
|
F

E

P

E

I

M

M

S

K

F
|
F

S

S

L
|
L

Y

Y

F
|
F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M

M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H25), F55 (= F54), F60 (= F59), L62 (= L61), F64 (= F63), E92 (= E92), H119 (= H119), E165 (= E165), M172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

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)
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/176 of 3vw9A

query
sites
3vw9A

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L
x
C

D

D

F

F

E

P

E

I

M

M

S

K

F

F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F
|
F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H25), C53 (≠ L52), L62 (= L61), E92 (= E92), H119 (= H119), M150 (= M150), F155 (= F155), E165 (= E165), M172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

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)
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/176 of 1qipA

query
sites
1qipA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R
x
Q

R

K

L
x
C

D

D

F

F

E

P

E

I

M

M

S

K

F
|
F

S

S

L

L

Y

Y

F
|
F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T
x
I

V

A

W

W

T

A

F
x
L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F
|
F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R29), Q51 (≠ R50), C53 (≠ L52), F60 (= F59), F64 (= F63), I81 (≠ T81), L85 (≠ F85), T94 (= T94), N96 (= N96), R115 (≠ Q115), M150 (= M150), F155 (= F155), M172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

1qinA Human glyoxalase i complexed with s-(n-hydroxy-n-p- iodophenylcarbamoyl) glutathione (see paper)
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/176 of 1qinA

query
sites
1qinA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L

C

D

D

F

F

E

P

E

I

M

M

S

K

F
|
F

S

S

L
|
L

Y

Y

F
|
F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K
|
K

R

K

S

P

D

D

Q

D

G
|
G

K
|
K

M
|
M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H25), R30 (= R29), F60 (= F59), L62 (= L61), F64 (= F63), E92 (= E92), T94 (= T94), N96 (= N96), R115 (≠ Q115), H119 (= H119), K143 (= K143), G148 (= G148), K149 (= K149), M150 (= M150), E165 (= E165), M172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92)

1froA Human glyoxalase i with benzyl-glutathione inhibitor (see paper)
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/176 of 1froA

query
sites
1froA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L

C

D

D

F

F

E

P

E

I

M

M

S

K

F
|
F

S

S

L

L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F
|
F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L

M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding s-benzyl-glutathione: R30 (= R29), F60 (= F59), T94 (= T94), N96 (= N96), R115 (≠ Q115), M150 (= M150), F155 (= F155), E165 (= E165)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

Sites not aligning to the query:

binding s-benzyl-glutathione: 176

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/175 of 3w0uA

query
sites
3w0uA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L

C

D

D

F

F

E

P

E

I

M

M

S

K

F
|
F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K
|
K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L
x
M

S

A

A

T

L

L

active site: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H25), F60 (= F59), L62 (= L61), E92 (= E92), H119 (= H119), K143 (= K143), M150 (= M150), E165 (= E165), M172 (≠ L172)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

7wszA Human glyoxalase i (with c-ter his tag) in glycerol-bound form (see paper)
49% identity, 89% coverage: 18:175/177 of query aligns to 19:175/183 of 7wszA

query
sites
7wszA

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
Q

T

T

M

M

L

L

R

R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M
x
I

R
x
Q

R
x
K

L

C

D

D

F

F

E

P

E

I

M

M

S

K

F

F

S

S

L

L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R
x
K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q

R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F

F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

I

I

L

Q

N

A

P

D

N

R

K

L

M

S

A

A

T

L

L

binding glycerol: I50 (≠ M49), Q51 (≠ R50), K52 (≠ R51), K80 (≠ R80), H119 (= H119), M150 (= M150), E165 (= E165)
binding zinc ion: Q26 (≠ H25), E92 (= E92), H119 (= H119), E165 (= E165)

Sites not aligning to the query:

binding glycerol: 176

1bh5A Human glyoxalase i q33e, e172q double mutant (see paper)
48% identity, 89% coverage: 18:175/177 of query aligns to 20:176/177 of 1bh5A

query
sites
1bh5A

S

T

Q

K

G

D

F

F

R

L

L

L

N

Q

H
x
E

T

T

M

M

L

L

R
|
R

V

V

K

K

D

D

P

P

E

K

K

K

A

S

L

L

A

D

F

F

Y

Y

T

T

R

R

V

V

F

L

G

G

M

M

R

T

V

L

M

I

R

Q

R

K

L

C

D

D

F

F

E

P

E

I

M

M

S

K

F
|
F

S

S

L
|
L

Y

Y

F

F

L

L

A

A

R

-

L

Y

D

E

D

D

G

K

E

N

Q

D

V

I

P

P

E

K

D

E

Q

K

G

D

E

E

R

K

T

I

V

A

W

W

T

A

F

L

S

S

Q

R

T

K

G

A

L

T

L

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

G

G

T

T

E

E

S

D

Q

D

D

E

D

T

F

Q

A

S

Y

Y

H

H

D

N

G

G

N

N

A

S

Q

D

P

P

Q
x
R

G

G

F

F

G

G

H
|
H

I

I

C

G

F

I

S

A

V

V

P

P

D

D

L

V

D

Y

A

S

A

A

E

C

A

K

W

R

F

F

D

E

A

E

N

L

D

G

V

V

T

K

F

F

V

V

K

K

R

K

S

P

D

D

Q

D

G

G

K

K

M
|
M

K

K

D

G

V

L

I

A

F
|
F

V

I

K

Q

D

D

V

P

D

D

G

G

Y

Y

W

W

I

I

E
x
Q

V

I

I

L

Q

N

A

P

D

N

R

K

L

M

S

A

A

T

L

L

active site: E27 (≠ H25), E93 (= E92), H120 (= H119), Q166 (≠ E165)
binding s-hexylglutathione: R31 (= R29), F61 (= F59), L63 (= L61), T95 (= T94), N97 (= N96), R116 (≠ Q115), M151 (= M150), F156 (= F155)
binding zinc ion: E27 (≠ H25), E93 (= E92), H120 (= H119), Q166 (≠ E165)

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)
45% identity, 97% coverage: 1:171/177 of query aligns to 1:169/326 of P50107

query
sites
P50107

M

M

S

S

F

T

K

D

G

S

E

T

Q

R

H

Y

P

P

G

I

V

Q

Q

I

T

E

P

K

T

A

A

S

D

N

S

D

Q

P

G

T

F

L

R

L

L

L

N

N

H

H

T

T

M

C

L

L

R

R

V

V

K

K

D

D

P

P

E

A

K

R

A

T

L

V

A

K

F

F

Y

Y

T

T

R

E

V

H

F

F

G

G

M

M

R

K

V

L

M

L

R

S

R

R

L

K

D

D

F

F

E

E

M

A

S

K

F

F

S

S

L

L

Y

Y

F

F

L

L

A

S

R

F

L

P

D

K

D

D

G

-

E

-

Q

D

V

I

P

P

E

K

D

N

Q

K

-

N

G

G

E

E

R

P

T

D

V

V

W

-

T

-

F

F

S

S

Q

A

T

H

G

G

L

V

L

L

E

E

L

L

T

T

H

H

N

N

W

W

G

G

T

T

E

E

S

K

Q

N

D

P

D

D

F

Y

A

K

Y

I

H

N

D

N

G

G

N

N

A

E

Q

E

P

P

-

H

Q

R

G

G

F

F

G

G

H

H

I

I

C

C

F

F

S

S

V

V

P

S

D

D

L

I

D

N

A

K

A

T

E

C

A

E

W

E

F

L

D

E

A

S

N

Q

D

G

V

V

T

K

F

F

V

K

K

K

R

R

S

L

D

S

Q

E

G

G

K

R

M

Q

K

K

D

D

V

I

I

A

F

F

V

A

K

L

D

G

V

P

D

D

G

G

Y

Y

W

W

I

I

E
|
E

V

L

I

I

Q

T

A

Y

D

S

R

R

E163 (= E165) active site, Proton donor/acceptor

Sites not aligning to the query:

318 active site, Proton donor/acceptor

Query Sequence

>WP_086509516.1 NCBI__GCF_002151265.1:WP_086509516.1
MSFKGEQHPGVQTPTADSQGFRLNHTMLRVKDPEKALAFYTRVFGMRVMRRLDFEEMSFS
LYFLARLDDGEQVPEDQGERTVWTFSQTGLLELTHNWGTESQDDFAYHDGNAQPQGFGHI
CFSVPDLDAAEAWFDANDVTFVKRSDQGKMKDVIFVKDVDGYWIEVIQADRLSALGD

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