SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011384864.1 NCBI__GCF_000009985.1:WP_011384864.1 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)

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)
58% identity, 97% coverage: 5:130/130 of query aligns to 2:127/135 of P0AC81

query
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P0AC81

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H5 (= H8) binding
E56 (= E59) binding
H74 (= H77) binding in other chain
E122 (= E125) binding in other chain

1fa6A Crystal structure of the co(ii)-bound glyoxalase i of escherichia coli (see paper)
58% identity, 95% coverage: 5:128/130 of query aligns to 2:125/128 of 1fa6A

query
sites
1fa6A

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active site: H5 (= H8), E56 (= E59), H74 (= H77), E122 (= E125)
binding cobalt (ii) ion: H5 (= H8), E56 (= E59), H74 (= H77), E122 (= E125)

1fa5A Crystal structure of the zn(ii)-bound glyoxalase i of escherichia coli (see paper)
58% identity, 95% coverage: 5:128/130 of query aligns to 2:125/128 of 1fa5A

query
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1fa5A

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active site: H5 (= H8), E56 (= E59), H74 (= H77), E122 (= E125)
binding zinc ion: H5 (= H8), E56 (= E59), H74 (= H77), E122 (= E125)

4mttA Ni- and zn-bound gloa2 at low resolution (see paper)
57% identity, 95% coverage: 5:128/130 of query aligns to 2:125/128 of 4mttA

query
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4mttA

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active site: H5 (= H8), E56 (= E59), H74 (= H77), E122 (= E125)
binding zinc ion: H5 (= H8), E56 (= E59)

6bnnA Crystal structure of v278e-glyoxalase i mutant from zea mays in space group p4(1)2(1)2 (see paper)
51% identity, 98% coverage: 1:128/130 of query aligns to 6:139/282 of 6bnnA

query
sites
6bnnA

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active site: H19 (= H8), E70 (= E59), H88 (= H77), E136 (= E125)
binding cobalt (ii) ion: H88 (= H77), E136 (= E125)
binding glutathione: R112 (= R101), V117 (≠ M106), K118 (= K107), F126 (= F115)

Sites not aligning to the query:

binding cobalt (ii) ion: 149, 200
binding glutathione: 153, 183, 202, 204

5d7zA Crystal structure of glyoxalase i from zea mays (see paper)
51% identity, 98% coverage: 2:128/130 of query aligns to 1:133/281 of 5d7zA

query
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5d7zA

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active site: H13 (= H8), E64 (= E59), H82 (= H77), E130 (= E125)

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, 95% coverage: 5:128/130 of query aligns to 24:148/291 of Q948T6

query
sites
Q948T6

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E78 (= E59) mutation to Q: No effect on the activity.
E145 (= E125) 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)
50% identity, 97% coverage: 5:130/130 of query aligns to 3:123/139 of 2c21A

query
sites
2c21A

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active site: H6 (= H8), E57 (= E59), H75 (= H77), E118 (= E125)
binding nickel (ii) ion: H6 (= H8), E57 (= E59), H75 (= H77), E118 (= E125)

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)
41% identity, 95% coverage: 5:127/130 of query aligns to 182:320/326 of P50107

query
sites
P50107

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A

Y

G

K

A

A

L

C

C

A

K

E

E

L

I

E

E

A

V

A

K

-

Y

G

G

A

D

K

K

I

I

T

Q

R

W

A

S

P

P

G

K

P

F

M

N

K

Q

H

G

G

R

S

M

T

K

I

N

I

I

A

A

F

F

V

L

E

K

D

D

P

P

D

D

G

G

Y

Y

K

S

I

I

E
|
E

L

V

I

V

E318 (= E125) active site, Proton donor/acceptor

Sites not aligning to the query:

163 active site, Proton donor/acceptor

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)
36% identity, 97% coverage: 3:128/130 of query aligns to 29:176/184 of Q04760

query
sites
Q04760

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

V

G

K

N

D

L

P

D

K

R

K

S
|
S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T
x
C

D

D

Y

F

P

P

E

I

G

M

R

K

F

F

T
x
S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

A
x
S

S

R

N

K

T

A

V
x
T

V

L

E
|
E

L

L

T
|
T

H

H

N

N

W

W

-

G

-
x
T

-

E

-

D

D
x
E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C
|
C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

S

-

T

-

I

-

I

L

A

A

F

F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

Q34 (≠ H8) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (= S19) mutation to A: No effect on phosphorylation.
C61 (≠ T35) modified: Disulfide link with 139, Alternate; mutation to A: No effect on NO-mediated modification.
S69 (≠ T43) mutation to A: No effect on phosphorylation.
S94 (≠ A53) mutation to A: No effect on phosphorylation.
T98 (≠ V57) mutation to A: No effect on phosphorylation.
E100 (= E59) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T61) mutation to A: No effect on phosphorylation.
T107 (vs. gap) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ D65) to A: in dbSNP:rs4746
H127 (= H77) binding in other chain
C139 (= C89) 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 (= E125) 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
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/176 of 3w0tA

query
sites
3w0tA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T
x
C

D

D

Y
x
F

P

P

E

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T
|
T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I

L

A

A

F

F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H8), C53 (≠ T35), F55 (≠ Y37), F60 (= F42), L62 (= L44), F64 (= F46), E92 (= E59), T94 (= T61), H119 (= H77), M150 (= M106), E165 (= E125)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)

Sites not aligning to the query:

binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: 172, 175, 176

3vw9A Human glyoxalase i with an n-hydroxypyridone inhibitor (see paper)
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/176 of 3vw9A

query
sites
3vw9A

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T
x
C

D

D

Y
x
F

P

P

E

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-
x
L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H8), C53 (≠ T35), F55 (≠ Y37), F60 (= F42), L62 (= L44), F64 (= F46), I81 (vs. gap), L85 (vs. gap), E92 (= E59), H119 (= H77), M150 (= M106), L153 (≠ I113), F155 (= F115), W163 (≠ K123), E165 (= E125)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)

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, 175, 176

1qipA Human glyoxalase i complexed with s-p- nitrobenzyloxycarbonylglutathione (see paper)
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/176 of 1qipA

query
sites
1qipA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R
|
R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R
x
Q

R

K

T
x
C

D

D

Y
x
F

P

P

E

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-
x
L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R12), Q51 (≠ R33), C53 (≠ T35), F55 (≠ Y37), F60 (= F42), L62 (= L44), F64 (= F46), I81 (vs. gap), L85 (vs. gap), T94 (= T61), N96 (= N63), R115 (vs. gap), M150 (= M106), L153 (≠ I113), F155 (= F115), W163 (≠ K123), E165 (= E125)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)

Sites not aligning to the query:

binding s-p-nitrobenzyloxycarbonylglutathione: 172, 175

1qinA Human glyoxalase i complexed with s-(n-hydroxy-n-p- iodophenylcarbamoyl) glutathione (see paper)
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/176 of 1qinA

query
sites
1qinA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R
|
R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T

C

D

D

Y

F

P

P

E

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-
x
L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R
x
K

A

K

P

P

-

D

G
|
G

P
x
K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H8), R30 (= R12), F60 (= F42), L62 (= L44), F64 (= F46), L85 (vs. gap), E92 (= E59), T94 (= T61), N96 (= N63), R115 (vs. gap), H119 (= H77), K143 (≠ R101), G148 (= G104), K149 (≠ P105), M150 (= M106), L153 (≠ I113), F155 (= F115), E165 (= E125)
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)
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/176 of 1froA

query
sites
1froA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R
|
R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T

C

D

D

Y
x
F

P

P

E

I

G

M

R

K

F
|
F

T

S

L
|
L

A

Y

F

F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T
|
T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding s-benzyl-glutathione: R30 (= R12), F55 (≠ Y37), F60 (= F42), L62 (= L44), T94 (= T61), N96 (= N63), R115 (vs. gap), M150 (= M106), L153 (≠ I113), F155 (= F115), W163 (≠ K123), E165 (= E125)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)

Sites not aligning to the query:

binding s-benzyl-glutathione: 172, 176

7wt0A Human glyoxalase i (with c-ter his tag) in complex with tlsc702 (see paper)
36% identity, 97% coverage: 3:128/130 of query aligns to 28:175/185 of 7wt0A

query
sites
7wt0A

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T
x
C

D

D

Y
x
F

P

P

E

I

G

M

R

K

F

F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-
x
L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R
x
K

A

K

P

P

-

D

G

G

P

K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

L

I

I

L

Q

N

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: C60 (≠ T35), F62 (≠ Y37), L69 (= L44), F71 (= F46), L92 (vs. gap), E99 (= E59), H126 (= H77), K150 (≠ R101), M157 (= M106), L160 (≠ I113), F162 (= F115), W170 (≠ K123), E172 (= E125)
binding zinc ion: Q33 (≠ H8), E99 (= E59), H126 (= H77), E172 (= E125)

Sites not aligning to the query:

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

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
36% identity, 97% coverage: 3:128/130 of query aligns to 21:168/175 of 3w0uA

query
sites
3w0uA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

V

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

M

K

T

L

L

L

I

R

Q

R

K

T
x
C

D

D

Y
x
F

P

P

E

I

G
x
M

R

K

F
|
F

T

S

L
|
L

A

Y

F
|
F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-

L

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T
|
T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R
x
K

A

K

P

P

-

D

G

G

P
x
K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H8), C53 (≠ T35), F55 (≠ Y37), M58 (≠ G40), F60 (= F42), L62 (= L44), F64 (= F46), I81 (vs. gap), E92 (= E59), T94 (= T61), H119 (= H77), K143 (≠ R101), K149 (≠ P105), M150 (= M106), L153 (≠ I113), F155 (= F115), E165 (= E125)
binding zinc ion: Q26 (≠ H8), E92 (= E59), H119 (= H77), E165 (= E125)

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

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
36% identity, 97% coverage: 3:128/130 of query aligns to 22:169/177 of 6l0uB

query
sites
6l0uB

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

I

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

T

L

D

D

Y

F

P

P

E

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-
x
R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T
x
V

R
x
K

A

K

P

P

-

D

-
x
D

G
|
G

P

K

M

M

K

K

H

G

G

-

S

-

T

-

I

-

I

L

A

A

F

F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K
x
W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q27 (≠ H8), E93 (= E59), H120 (= H77), E166 (= E125)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (vs. gap), V143 (≠ T100), K144 (≠ R101), D148 (vs. gap), G149 (= G104), W164 (≠ K123)
binding zinc ion: Q27 (≠ H8), E93 (= E59), H120 (= H77), E166 (= E125)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
36% identity, 97% coverage: 3:128/130 of query aligns to 22:169/177 of 4kykB

query
sites
4kykB

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R

R

V

I

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

T

L

D

D

Y

F

P

P

E

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T

T

H

H

N

N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R
x
K

A

K

P

P

-

D

G
|
G

P
x
K

M
|
M

K

K

H

G

G

-

S

-

T

-

I

-

I
x
L

A

A

F
|
F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q27 (≠ H8), E93 (= E59), H120 (= H77), E166 (= E125)
binding indomethacin: K144 (≠ R101), G149 (= G104), K150 (≠ P105), M151 (= M106), L154 (≠ I113), F156 (= F115), E166 (= E125)
binding zinc ion: Q27 (≠ H8), E93 (= E59), H120 (= H77), E166 (= E125)

6l0uA Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
36% identity, 97% coverage: 3:128/130 of query aligns to 24:171/179 of 6l0uA

query
sites
6l0uA

D

D

W

F

R

L

F

L

L

Q

H
x
Q

T

T

M

M

I

L

R
|
R

V

I

G

K

N

D

L

P

D

K

R

K

S

S

I

L

H

D

F

F

Y

Y

T

T

S

R

L

V

L

L

G

G

M

L

K

T

L

L

R

Q

R

K

T

L

D

D

Y

F

P

P

E

A

G

M

R

K

F

F

T

S

L

L

A

Y

F

F

V

L

G

A

Y

Y

G

E

E

D

E

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

-

S

-

E

-

K

-

T

-

A

-

W

-

T

-

F

A

S

S

R

N

K

T

A

V

T

V

L

E
|
E

L

L

T

T

H

H

N
|
N

W

W

-

G

-

T

-

E

-

D

D

E

T

T

E

Q

S

S

Y

Y

E

H

L

N

G

G

G

N

-

S

-

D

-

P

-

R

G

G

F

F

G

G

H
|
H

L

I

A

G

L

I

G

A

V

V

P

P

D

D

I

V

Y

Y

K

S

A

A

C

C

A

K

E

R

L

F

E

E

A

E

A

L

G

G

A

V

K

K

I

F

T

V

R

K

A

K

P

P

-

D

G

G

P

K

M

M

K

K

H

G

G

-

S

-

T

-

I

-

I

L

A

A

F

F

V

I

E

Q

D

D

P

P

D

D

G

G

Y

Y

K

W

I

I

E
|
E

L

I

I

L

Q

N

active site: Q29 (≠ H8), E95 (= E59), H122 (= H77), E168 (= E125)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R33 (= R12), N99 (= N63)
binding zinc ion: Q29 (≠ H8), E95 (= E59), H122 (= H77), E168 (= E125)

Query Sequence

>WP_011384864.1 NCBI__GCF_000009985.1:WP_011384864.1
MADWRFLHTMIRVGNLDRSIHFYTSLLGMKLLRRTDYPEGRFTLAFVGYGEEASNTVVEL
THNWDTESYELGGGFGHLALGVPDIYKACAELEAAGAKITRAPGPMKHGSTIIAFVEDPD
GYKIELIQAK

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