SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 3608677 FitnessBrowser__Dino:3608677 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)
35% identity, 91% coverage: 6:124/131 of query aligns to 34:175/184 of Q9CPU0

query
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Q9CPU0

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Q34 (≠ H6) binding
E100 (= E53) binding
H127 (= H72) binding in other chain
E173 (= E122) binding in other chain

4x2aA Crystal structure of mouse glyoxalase i complexed with baicalein (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 20:161/167 of 4x2aA

query
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active site: Q20 (≠ H6), E86 (= E53), H113 (= H72), E159 (= E122)
binding 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one: Q20 (≠ H6), F49 (= F35), L56 (= L40), F79 (vs. gap), E86 (= E53), H113 (= H72), M144 (≠ L106), E159 (= E122)
binding zinc ion: Q20 (≠ H6), E86 (= E53), H113 (= H72), E159 (= E122)

Sites not aligning to the query:

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

4kykA Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 29:170/179 of 4kykA

query
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active site: Q29 (≠ H6), E95 (= E53), H122 (= H72), E168 (= E122)
binding zinc ion: Q29 (≠ H6), E95 (= E53), H122 (= H72), E168 (= E122)

2za0A Crystal structure of mouse glyoxalase i complexed with methyl-gerfelin (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 31:172/180 of 2za0A

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active site: Q31 (≠ H6), E97 (= E53), H124 (= H72), E170 (= E122)
binding methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate: Q31 (≠ H6), F65 (= F38), L67 (= L40), F90 (vs. gap), E97 (= E53), H124 (= H72), M155 (≠ L106), E170 (= E122)
binding zinc ion: Q31 (≠ H6), E97 (= E53), H124 (= H72), E170 (= E122)

6l0uB Crystal structure of mouse glyoxalase i complexed with a small molecule inhibitor
35% identity, 91% coverage: 6:124/131 of query aligns to 27:168/177 of 6l0uB

query
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active site: Q27 (≠ H6), E93 (= E53), H120 (= H72), E166 (= E122)
binding N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide: R116 (vs. gap), K144 (≠ E99), D148 (= D103), G149 (= G104), W164 (≠ Q120)
binding zinc ion: Q27 (≠ H6), E93 (= E53), H120 (= H72), E166 (= E122)

4kykB Crystal structure of mouse glyoxalase i complexed with indomethacin (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 27:168/177 of 4kykB

query
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active site: Q27 (≠ H6), E93 (= E53), H120 (= H72), E166 (= E122)
binding indomethacin: K144 (≠ E99), K150 (= K105), M151 (≠ L106), L154 (≠ F110), F156 (= F112)
binding zinc ion: Q27 (≠ H6), E93 (= E53), H120 (= H72), E166 (= E122)

4kyhA Crystal structure of mouse glyoxalase i complexed with zopolrestat (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 29:170/177 of 4kyhA

query
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active site: Q29 (≠ H6), E95 (= E53), H122 (= H72), E168 (= E122)
binding zinc ion: Q29 (≠ H6), E95 (= E53), H122 (= H72), E168 (= E122)
binding 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid: M31 (= M8), R33 (= R10), F63 (= F38), E95 (= E53), T97 (= T55), N99 (= N57)

4pv5A Crystal structure of mouse glyoxalase i in complexed with 18-beta- glycyrrhetinic acid (see paper)
35% identity, 91% coverage: 6:124/131 of query aligns to 22:163/170 of 4pv5A

query
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4pv5A

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H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E
x
K

F

K

A

P

P

D

D

D

G

G

K

K

L

M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q22 (≠ H6), E88 (= E53), H115 (= H72), E161 (= E122)
binding (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid: R111 (vs. gap), K139 (≠ E99)
binding zinc ion: Q22 (≠ H6), E88 (= E53)

4opnA Crystal structure of mouse glyoxalase i complexed with mah
35% identity, 91% coverage: 6:124/131 of query aligns to 26:167/172 of 4opnA

query
sites
4opnA

H
x
Q

S

T

M

M

I

L

R
|
R

V

I

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

L

D

T

V

L

A

L

D

Q

R

K

L

L

D

D

F

F

S

P

-

A

-

M

D

K

F
|
F

T

S

L

L

V

Y

Y

F

L

L

S

A

-

Y

-

E

-

D

-

K

-

N

-

D

-

I

-

P

-

K

-

D

-

K

N

S

D

E

E

K

T

T

G

A

F

W

-

T

-
x
F

-

S

-

R

-

K

-

A

E

T

L

L

E
|
E

L

L

T
|
T

V

H

N
|
N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E
x
K

F

K

A

P

P

D

D

D

G

G

K
|
K

L
x
M

V

K

G

G

R

-

F
x
L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine: Q26 (≠ H6), R30 (= R10), F60 (= F38), F85 (vs. gap), E92 (= E53), T94 (= T55), N96 (= N57), R115 (vs. gap), H119 (= H72), K143 (≠ E99), K149 (= K105), M150 (≠ L106), L153 (≠ F110), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53)

Sites not aligning to the query:

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

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)
34% identity, 91% coverage: 6:124/131 of query aligns to 34:175/184 of Q04760

query
sites
Q04760

H
x
Q

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S
|
S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L
x
C

D

D

F

F

S

P

-

I

-

M

D

K

F

F

T
x
S

L

L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-
x
S

-

R

-

K

F

A

E
x
T

L

L

E
|
E

L

L

T
|
T

V

H

N

N

K

W

G

G

-
x
T

-

E

-

D

Q
x
E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H
x
C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L

M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

Q34 (≠ H6) binding ; mutation to E: Reduces enzyme activity by 99%.
S45 (= S17) mutation to A: No effect on phosphorylation.
C61 (≠ L33) modified: Disulfide link with 139, Alternate; mutation to A: No effect on NO-mediated modification.
S69 (≠ T39) mutation to A: No effect on phosphorylation.
S94 (vs. gap) mutation to A: No effect on phosphorylation.
T98 (≠ E51) mutation to A: No effect on phosphorylation.
E100 (= E53) binding ; mutation to Q: Reduces enzyme activity by over 99%.
T102 (= T55) mutation to A: No effect on phosphorylation.
T107 (vs. gap) modified: Phosphothreonine; mutation to A: Loss of phosphorylation.
E111 (≠ Q60) to A: in dbSNP:rs4746
H127 (= H72) binding in other chain
C139 (≠ H84) 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.

7wt0A Human glyoxalase i (with c-ter his tag) in complex with tlsc702 (see paper)
34% identity, 91% coverage: 6:124/131 of query aligns to 33:174/185 of 7wt0A

query
sites
7wt0A

H
x
Q

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L
x
C

D

D

F
|
F

S

P

-

I

-

M

D

K

F

F

T

S

L
|
L

V

Y

Y
x
F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-
x
L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E
x
K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F
x
L

F

A

F
|
F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

binding (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid: C60 (≠ L33), F62 (= F35), L69 (= L40), F71 (≠ Y42), L92 (vs. gap), E99 (= E53), H126 (= H72), K150 (≠ E99), M157 (≠ L106), L160 (≠ F110), F162 (= F112), E172 (= E122)
binding zinc ion: Q33 (≠ H6), E99 (= E53), H126 (= H72), 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

3w0uA Human glyoxalase i with an n-hydroxypyridone inhibitor
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/175 of 3w0uA

query
sites
3w0uA

H
x
Q

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L

C

D

D

F

F

S

P

-

I

-

M

D

K

F
|
F

T

S

L
|
L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E
x
K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide: Q26 (≠ H6), F60 (= F38), L62 (= L40), E92 (= E53), H119 (= H72), K143 (≠ E99), M150 (≠ L106), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53), H119 (= H72), 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

3w0tA Human glyoxalase i with an n-hydroxypyridone derivative inhibitor
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/176 of 3w0tA

query
sites
3w0tA

H
x
Q

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L

C

D

D

F
|
F

S

P

-

I

-

M

D

K

F
|
F

T

S

L
|
L

V

Y

Y
x
F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L

M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide: Q26 (≠ H6), F55 (= F35), F60 (= F38), L62 (= L40), F64 (≠ Y42), E92 (= E53), H119 (= H72), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53), H119 (= H72), 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)
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/176 of 3vw9A

query
sites
3vw9A

H
x
Q

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L
x
C

D

D

F

F

S

P

-

I

-

M

D

K

F

F

T

S

L
|
L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F
|
F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one: Q26 (≠ H6), C53 (≠ L33), L62 (= L40), E92 (= E53), H119 (= H72), M150 (≠ L106), F155 (= F112), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53), H119 (= H72), 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)
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/176 of 1qipA

query
sites
1qipA

H
x
Q

S

T

M

M

I

L

R
|
R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D
x
Q

R

K

L
x
C

D

D

F

F

S

P

-

I

-

M

D

K

F
|
F

T

S

L

L

V

Y

Y
x
F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-
x
I

-

A

-

W

-

A

-
x
L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T
|
T

V

H

N
|
N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F
|
F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding s-p-nitrobenzyloxycarbonylglutathione: R30 (= R10), Q51 (≠ D31), C53 (≠ L33), F60 (= F38), F64 (≠ Y42), I81 (vs. gap), L85 (vs. gap), T94 (= T55), N96 (= N57), R115 (vs. gap), M150 (≠ L106), F155 (= F112)
binding zinc ion: Q26 (≠ H6), E92 (= E53), H119 (= H72), 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)
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/176 of 1qinA

query
sites
1qinA

H
x
Q

S

T

M

M

I

L

R
|
R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L

C

D

D

F

F

S

P

-

I

-

M

D

K

F
|
F

T

S

L
|
L

V

Y

Y
x
F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T
|
T

V

H

N
|
N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E
x
K

F

K

A

P

P

D

D

D

G
|
G

K
|
K

L
x
M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione: Q26 (≠ H6), R30 (= R10), F60 (= F38), L62 (= L40), F64 (≠ Y42), E92 (= E53), T94 (= T55), N96 (= N57), R115 (vs. gap), H119 (= H72), K143 (≠ E99), G148 (= G104), K149 (= K105), M150 (≠ L106), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53)

Sites not aligning to the query:

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

1froA Human glyoxalase i with benzyl-glutathione inhibitor (see paper)
34% identity, 91% coverage: 6:124/131 of query aligns to 26:167/176 of 1froA

query
sites
1froA

H
x
Q

S

T

M

M

I

L

R
|
R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L

C

D

D

F

F

S

P

-

I

-

M

D

K

F
|
F

T

S

L

L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T
|
T

V

H

N
|
N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F
|
F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

active site: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)
binding s-benzyl-glutathione: R30 (= R10), F60 (= F38), T94 (= T55), N96 (= N57), R115 (vs. gap), M150 (≠ L106), F155 (= F112), E165 (= E122)
binding zinc ion: Q26 (≠ H6), E92 (= E53), H119 (= H72), E165 (= E122)

Sites not aligning to the query:

binding s-benzyl-glutathione: 176

7wszA Human glyoxalase i (with c-ter his tag) in glycerol-bound form (see paper)
34% identity, 90% coverage: 7:124/131 of query aligns to 27:167/183 of 7wszA

query
sites
7wszA

S

T

M

M

I

L

R

R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A
x
I

D
x
Q

R
x
K

L

C

D

D

F

F

S

P

-

I

-

M

D

K

F

F

T

S

L

L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-
x
K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-

R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F

F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
|
E

V

I

L

L

binding glycerol: I50 (≠ A30), Q51 (≠ D31), K52 (≠ R32), K80 (vs. gap), H119 (= H72), M150 (≠ L106), E165 (= E122)
binding zinc ion: E92 (= E53), H119 (= H72), E165 (= E122)

Sites not aligning to the query:

4mttA Ni- and zn-bound gloa2 at low resolution (see paper)
33% identity, 95% coverage: 3:126/131 of query aligns to 2:126/128 of 4mttA

query
sites
4mttA

K

R

A

I

I

L

H
|
H

S

S

M

M

I

L

R

R

V

V

L

A

D

D

E

L

A

E

R

A

S

A

V

L

D

E

F

F

Y

Y

K

T

R

R

A

A

F

L

G

D

L

M

D

R

V

L

A

L

D

R

R

R

L

R

D

D

F

Y

S

P

D

E

-

G

-

R

F

F

T

T

L

L

V

A

Y

F

L

V

-

G

-

Y

S

Q

N

D

D

E

E

R

T

A

G

A

F

A

E

A

L

L

E
|
E

L

L

T

T

V

H

N

N

K

W

G

D

Q

R

T

-

E

D

P

G

Y

Y

D

T

L

Q

G

G

N

D

G

G

Y

Y

G

G

H
|
H

F

L

A

A

V

I

S

E

V

V

D

E

D

D

L

A

D

A

A

V

E

T

H

C

A

A

R

R

F

A

E

R

A

A

E

L

G

G

L

Y

N

R

P

V

R

T

K

R

L

E

V

A

E

G

F

L

A

M

P

Q

D

H

G

G

K

R

L

S

V

V

G

-

R

-

F

I

F

A

F

F

V

L

A

E

D

D

P

P

D

D

G

G

Y

Y

Q

K

I

V

E
|
E

V

L

L

I

E

Q

R

K

active site: H5 (= H6), E56 (= E53), H74 (= H72), E122 (= E122)
binding zinc ion: H5 (= H6), E56 (= E53)

1bh5A Human glyoxalase i q33e, e172q double mutant (see paper)
33% identity, 90% coverage: 7:124/131 of query aligns to 28:168/177 of 1bh5A

query
sites
1bh5A

S

T

M

M

I

L

R
|
R

V

V

L

K

D

D

E

P

A

K

R

K

S

S

V

L

D

D

F

F

Y

Y

K

T

R

R

A

V

F

L

G

G

L

M

D

T

V

L

A

I

D

Q

R

K

L

C

D

D

F

F

S

P

-

I

-

M

D

K

F
|
F

T

S

L
|
L

V

Y

Y

F

L

L

S

A

N

Y

D

E

E

D

T

K

G

N

-

D

-

I

-

P

-

K

-

E

-

K

-

D

-

E

-

K

-

I

-

A

-

W

-

A

-

L

-

S

-

R

-

K

F

A

E

T

L

L

E
|
E

L

L

T
|
T

V

H

N
|
N

K

W

G

G

-

T

-

E

-

D

Q

E

T

T

E

Q

P

S

Y

Y

D

H

L

N

G

G

N

N

-

S

-

D

-

P

-
x
R

G

G

Y

F

G

G

H
|
H

F

I

A

G

V

I

S

A

V

V

D

P

D

D

L

V

D

Y

A

S

E

A

H

C

A

K

R

R

F

F

E

E

A

E

E

L

G

G

L

V

N

-

P

-

R

-

K

K

L

F

V

V

E

K

F

K

A

P

P

D

D

D

G

G

K

K

L
x
M

V

K

G

G

R

-

F

L

F

A

F
|
F

V

I

A

Q

D

D

P

P

D

D

G

G

Y

Y

Q

W

I

I

E
x
Q

V

I

L

L

active site: E93 (= E53), H120 (= H72), Q166 (≠ E122)
binding s-hexylglutathione: R31 (= R10), F61 (= F38), L63 (= L40), T95 (= T55), N97 (= N57), R116 (vs. gap), M151 (≠ L106), F156 (= F112)
binding zinc ion: E93 (= E53), H120 (= H72), Q166 (≠ E122)

Sites not aligning to the query:

active site: 27
binding zinc ion: 27

Query Sequence

>3608677 FitnessBrowser__Dino:3608677
MAKAIHSMIRVLDEARSVDFYKRAFGLDVADRLDFSDFTLVYLSNDETGFELELTVNKGQ
TEPYDLGNGYGHFAVSVDDLDAEHARFEAEGLNPRKLVEFAPDGKLVGRFFFVADPDGYQ
IEVLERSGRFQ

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