SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_051958038.1 NCBI__GCF_000745975.1:WP_051958038.1 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)

5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
57% identity, 89% coverage: 12:147/153 of query aligns to 3:138/145 of 5ydbA

query
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5ydbA

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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N74 (= N83), A77 (= A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N83), A76 (≠ G85), A77 (= A86), H80 (= H89), H100 (= H109), L101 (= L110), S102 (= S111), R111 (= R120)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
57% identity, 89% coverage: 12:147/153 of query aligns to 3:138/145 of 5b6pB

query
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5b6pB

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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N74 (= N83), A77 (= A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding sulfate ion: N74 (= N83), H100 (= H109), L101 (= L110), S102 (= S111)

4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/140 of 4cl0A

query
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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R26), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 3:139/143 of 3n76A

query
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3n76A

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active site: P10 (= P18), N11 (= N19), R18 (= R26), Y23 (= Y31), N74 (= N83), G77 (≠ A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N19), R14 (≠ M22), R18 (= R26), Y23 (= Y31), N74 (= N83), G76 (= G85), G77 (≠ A86), H80 (= H89), H100 (= H109), I101 (≠ L110), S102 (= S111), R111 (= R120)

4kiwA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 4kiwA

query
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4kiwA

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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N19), L11 (= L20), R13 (≠ M22), L14 (= L23), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), V103 (≠ I113), R110 (= R120)

4kiuA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 4kiuA

query
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4kiuA

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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N19), R13 (≠ M22), L14 (= L23), E18 (= E27), Y22 (= Y31), G75 (= G85), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

4ciwA Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy) ethylcyclohex-2-ene-1-carboxylic acid (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 4ciwA

query
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4ciwA

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active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 3n87A

query
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3n87A

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A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N19), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 3n86A

query
sites
3n86A

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M
x
R

L

L

G

G

K

R

R
|
R

E
|
E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D
|
D

A

A

L

C

S

A

M
x
E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N19), R13 (≠ M22), E18 (= E27), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), D86 (= D96), E90 (≠ M100), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

2xb8A Structure of mycobacterium tuberculosis type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3- dehydroquinic acid (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/141 of 2xb8A

query
sites
2xb8A

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L
|
L

D

G

M

R

L

L

G

G

K

R

R
|
R

E

E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I
x
V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N19), L11 (= L20), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), V103 (≠ I113), R110 (= R120)

4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 3:139/142 of 4b6oA

query
sites
4b6oA

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M

R

L

L

G

G

K

R

R
|
R

E

E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P10 (= P18), N11 (= N19), R18 (= R26), Y23 (= Y31), N74 (= N83), G77 (≠ A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N19), N74 (= N83), G76 (= G85), G77 (≠ A86), H80 (= H89), H100 (= H109), I101 (≠ L110), S102 (= S111), R111 (= R120)

3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 3:139/142 of 3n59C

query
sites
3n59C

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M

R

L

L

G

G

K

R

R
|
R

E

E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P10 (= P18), N11 (= N19), R18 (= R26), N74 (= N83), G77 (≠ A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R26), Y23 (= Y31), G76 (= G85), G77 (≠ A86), H80 (= H89), H100 (= H109), I101 (≠ L110), S102 (= S111), R111 (= R120)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 2:138/142 of 4b6pA

query
sites
4b6pA

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M

R

L
|
L

G

G

K

R

R
|
R

E

E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N73 (= N83), G76 (≠ A86), E97 (= E107), H99 (= H109), R106 (= R116)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N19), L14 (= L23), R17 (= R26), Y22 (= Y31), N73 (= N83), G75 (= G85), G76 (≠ A86), H79 (= H89), H99 (= H109), I100 (≠ L110), S101 (= S111), R110 (= R120)

3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
50% identity, 90% coverage: 11:148/153 of query aligns to 11:147/151 of 3n8kM

query
sites
3n8kM

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M

R

L

L

G

G

K

R

R
|
R

E

E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P18 (= P18), N19 (= N19), N82 (= N83), G85 (≠ A86), E106 (= E107), H108 (= H109), R115 (= R116)
binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R26), Y31 (= Y31), N82 (= N83), G84 (= G85), H88 (= H89), H108 (= H109), I109 (≠ L110), S110 (= S111), R119 (= R120)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
51% identity, 93% coverage: 10:151/153 of query aligns to 2:142/147 of 8idrC

query
sites
8idrC

G

G

M

K

I

I

H

L

V

L

I

L

N

N

G

G

P

P

N

N

L

L

D

N

M

M

L

L

G

G

K

K

R

R

E

E

P

P

D

D

I

I

Y

Y

G

G

A

H

L

D

T

T

L

L

D

E

Q

D

I

V

N

V

G

A

E

L

L

A

K

T

A

A

R

E

A

A

E

A

T

K

L

H

G

G

L

L

S

E

L

V

N

E

F

A

F

L

Q

Q

S

S

N

N

H

H

E

E

G

G

M

E

I

L

L

I

D

D

Y

A

I

L

H

H

L

-

T

N

F

A

E

R

R

G

E

T

P

H

A

I

G

G

V

C

I

V

I

I

N
|
N

P

P

G
|
G

A

G

L

L

T

T

H

H

T

T

S

S

V

V

A

A

L

L

R

L

D

D

A

A

L

V

S

K

M

A

L

S

S

E

C

L

P

P

I

T

V

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

P

H

H

K

A

R

R

E

E

T

E

F

F

R

R

H

H

T

H

S

S

M

Y

I

I

A

S

D

L

I

A

A

A

T

V

G

S

Q

V

L

I

T

A

G

G

F

A

G

G

H

I

Y

Q

G

G

Y

Y

R

R

M

F

A

A

L

V

D

D

F

I

L

L

H

A

S

N

L

L

binding citrate anion: N74 (= N83), G76 (= G85), H100 (= H109), I101 (≠ L110), S102 (= S111)

4kijA Design and structural analysis of aromatic inhibitors of type ii dehydroquinase dehydratase from mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid] (see paper)
49% identity, 90% coverage: 11:148/153 of query aligns to 3:139/142 of 4kijA

query
sites
4kijA

M

I

I

V

H

N

V

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

D

G

M

R

L

L

G

A

K

R

R
|
R

E
|
E

P

P

D

A

I

V

Y
|
Y

G

G

A

G

L

T

T

T

L

H

D

D

Q

E

I

L

N

V

G

A

E

L

L

I

K

E

A

R

R

E

A

A

E

A

T

E

L

L

G

G

L

L

S

K

L

A

N

V

F

V

F

R

Q

Q

S

S

N

D

H

S

E

E

G

A

M

Q

I

L

L

L

D

D

Y

W

I

I

H

H

L

Q

T

A

F

A

E

D

R

A

-

A

E

E

P

P

A

-

G

-

V

V

I

I

I

L

N
|
N

P

A

G
|
G

A
x
G

L

L

T

T

H

H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

S

A

M

E

L

L

S

S

C

A

P

P

I

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

R

T

H

S

S

M

Y

I

L

A

S

D

P

I

I

A

A

T

T

G

G

Q

V

L

I

T

V

G

G

F

L

G

G

H

I

Y

Q

G

G

Y

Y

R

L

M

L

A

A

L

L

D

R

F

Y

L

L

active site: P10 (= P18), N11 (= N19), R18 (= R26), Y23 (= Y31), N74 (= N83), G77 (≠ A86), E98 (= E107), H100 (= H109), R107 (= R116)
binding 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid: E19 (= E27), Y23 (= Y31), N74 (= N83), G76 (= G85), H100 (= H109), I101 (≠ L110), S102 (= S111), R111 (= R120)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
50% identity, 93% coverage: 10:151/153 of query aligns to 2:142/145 of 8iduA

query
sites
8iduA

G

G

M

K

I

I

H

L

V

L

I

L

N

N

G

G

P

P

N

N

L

L

D

N

M

M

L

L

G

G

K

K

R

A

E

E

P

P

D

D

I

I

Y
|
Y

G

G

A

H

L

D

T

T

L

L

D

E

Q

D

I

V

N

V

G

A

E

L

L

A

K

T

A

A

R

E

A

A

E

A

T

K

L

H

G

G

L

L

S

E

L

V

N

E

F

A

F

L

Q

Q

S

S

N

N

H

H

E

E

G

G

M

E

I

L

L

I

D

D

Y

A

I

L

H

H

L

-

T

N

F

A

E

R

R

G

E

T

P

H

A

I

G

G

V

C

I

V

I

I

N
|
N

P

P

G
|
G

A
x
G

L

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

L

D

D

A

A

L

V

S

K

M

A

L

S

S

E

C

L

P

P

I

T

V

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

P

H

H

K

A

R

R

E

E

T

E

F

F

R
|
R

H

H

T

H

S

S

M

Y

I

I

A

S

D

L

I

A

A

A

T

V

G

S

Q

V

L

I

T

A

G

G

F

A

G

G

H

I

Y

Q

G

G

Y

Y

R

R

M

F

A

A

L

V

D

D

F

I

L

L

H

A

S

N

L

L

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y31), N74 (= N83), G76 (= G85), G77 (≠ A86), H80 (= H89), H100 (= H109), I101 (≠ L110), S102 (= S111), R111 (= R120)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
48% identity, 88% coverage: 12:145/153 of query aligns to 12:147/168 of 2c4wA

query
sites
2c4wA

I

I

H

L

V

V

I

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

D

N

M

M

L
|
L

G

G

K

H

R
|
R

E
x
D

P

P

D

R

I

L

Y
|
Y

G

G

A

M

L

V

T

T

L

L

D

D

Q

Q

I

I

N

H

G

E

E

I

L

M

K

Q

-

T

-

F

A

V

R

K

A

Q

E

G

T

N

L

L

G

D

L

V

S

E

L

L

N

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

M

E

I

I

L

I

D

D

Y

K

I

I

H

Q

L

E

T

S

F

V

E

G

R

S

E

E

P

Y

A

E

G

G

V

I

I

I

N
|
N

P

P

G
|
G

A
|
A

L

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

S

M

M

L

L

A

S

G

C

K

P

P

I

V

V

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

I
|
I

H

Q

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

K

T

N

S

S

M

Y

I

T

A

G

D

A

I

A

A

C

T

G

G

G

Q

V

L

I

T

M

G

G

F

F

G

G

H

P

Y

L

G

G

Y

Y

R

N

M

M

A

A

L

L

active site: P18 (= P18), N19 (= N19), R26 (= R26), Y31 (= Y31), N85 (= N83), A88 (= A86), E109 (= E107), H111 (= H109), R118 (= R116)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L20), L23 (= L23), D27 (≠ E27), G87 (= G85), H91 (= H89), H111 (= H109), L112 (= L110), T113 (≠ S111), I115 (= I113), R122 (= R120)

Q48255 3-dehydroquinate dehydratase; 3-dehydroquinase; Type II DHQase; EC 4.2.1.10 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
47% identity, 88% coverage: 12:145/153 of query aligns to 3:138/167 of Q48255

query
sites
Q48255

I

I

H

L

V

V

I

I

N

Q

G

G

P

P

N

N

L

L

D

N

M

M

L

L

G

G

K

H

R

R

E

D

P

P

D

R

I

L

Y

Y

G

G

A

M

L

V

T

T

L

L

D

D

Q

Q

I

I

N

H

G

E

E

I

L

M

K

Q

-

T

-

F

A

V

R

K

A

Q

E

G

T

N

L

L

G

D

L

V

S

E

L

L

N

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

M

E

I

I

L

I

D

D

Y

K

I

I

H

Q

L

E

T

S

F

V

E

G

R

S

E

D

P

Y

A

E

G

G

V

I

I

I

N
|
N

P

P

G

G

A

A

L

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D
|
D

A

A

L

I

S

M

M

L

L

A

S

G

C

K

P

P

I

V

V

I

E

E

V

V

H

H

L

L

S

T

N

N

I

I

H

Q

K

A

R

R

E

E

T

E

F

F

R
|
R

H

K

T

N

S

S

M

Y

I

T

A

G

D

A

I

A

A

C

T

G

G

G

Q

V

L

I

T

M

G

G

F

F

G

G

H

P

Y

L

G

G

Y

Y

R

N

M

M

A

A

L

L

N76 (= N83) binding
H82 (= H89) binding
D89 (= D96) binding
R113 (= R120) binding

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
47% identity, 88% coverage: 12:145/153 of query aligns to 3:138/158 of 4b6sA

query
sites
4b6sA

I

I

H

L

V

V

I

I

N

Q

G

G

P
|
P

N
|
N

L

L

D

N

M

M

L
|
L

G

G

K

H

R
|
R

E

D

P

P

D

R

I

L

Y
|
Y

G

G

A

M

L

V

T

T

L

L

D

D

Q

Q

I

I

N

H

G

E

E

I

L

M

K

Q

-

T

-

F

A

V

R

K

A

Q

E

G

T

N

L

L

G

D

L

V

S

E

L

L

N

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

M

E

I

I

L

I

D

D

Y

K

I

I

H

Q

L

E

T

S

F

V

E

G

R

S

E

D

P

Y

A

E

G

G

V

I

I

I

N
|
N

P

P

G
|
G

A
|
A

L

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

S

M

M

L

L

A

S

G

C

K

P

P

I

V

V

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

I

I

H

Q

K

A

R
|
R

E

E

T

E

F

F

R
|
R

H

K

T

N

S

S

M

Y

I

T

A

G

D

A

I

A

A

C

T

G

G

G

Q

V

L

I

T

M

G

G

F

F

G

G

H

P

Y

L

G

G

Y

Y

R

N

M

M

A

A

L

L

active site: P9 (= P18), N10 (= N19), R17 (= R26), Y22 (= Y31), N76 (= N83), A79 (= A86), E100 (= E107), H102 (= H109), R109 (= R116)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N19), L14 (= L23), Y22 (= Y31), N76 (= N83), G78 (= G85), A79 (= A86), H82 (= H89), H102 (= H109), L103 (= L110), T104 (≠ S111), R113 (= R120)

Query Sequence

>WP_051958038.1 NCBI__GCF_000745975.1:WP_051958038.1
MKTRKQTTSGMIHVINGPNLDMLGKREPDIYGALTLDQINGELKARAETLGLSLNFFQSN
HEGMILDYIHLTFEREPAGVIINPGALTHTSVALRDALSMLSCPIVEVHLSNIHKRETFR
HTSMIADIATGQLTGFGHYGYRMALDFLHSLSS

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