SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013091411.1 NCBI__GCF_000092885.1:WP_013091411.1 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
43% identity, 96% coverage: 3:141/145 of query aligns to 2:140/145 of 5ydbA

query
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5ydbA

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N74 (= N75), A77 (= A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N75), A76 (≠ G77), A77 (= A78), H80 (= H81), H100 (= H101), L101 (≠ M102), S102 (= S103), R111 (= R112)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
43% identity, 96% coverage: 3:141/145 of query aligns to 2:140/145 of 5b6pB

query
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5b6pB

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N74 (= N75), A77 (= A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding sulfate ion: N74 (= N75), H100 (= H101), L101 (≠ M102), S102 (= S103)

4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/140 of 4cl0A

query
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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R18), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

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)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 4kiwA

query
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4kiwA

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N11), L11 (≠ H12), R13 (≠ M14), L14 (≠ F15), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), V103 (≠ I105), R110 (= R112)

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)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 4kiuA

query
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4kiuA

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N11), R13 (≠ M14), L14 (≠ F15), E18 (≠ D19), Y22 (= Y23), G75 (= G77), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

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)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 4ciwA

query
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4ciwA

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/142 of 4b6pA

query
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4b6pA

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active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N11), L14 (≠ F15), R17 (= R18), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 3n87A

query
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3n87A

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R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 3n86A

query
sites
3n86A

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M
x
R

F

L

G

G

K

R

R
|
R

D
x
E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D
|
D

A

A

L

C

A

A

I
x
E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), R13 (≠ M14), E18 (≠ D19), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), D86 (= D88), E90 (≠ I92), H99 (= H101), I100 (≠ M102), S101 (= S103), R110 (= R112)

2xb8A Structure of mycobacterium tuberculosis type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3- dehydroquinic acid (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 5:136/141 of 2xb8A

query
sites
2xb8A

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H
x
L

N

G

M

R

F

L

G

G

K

R

R
|
R

D

E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I
x
V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N11), L11 (≠ H12), Y22 (= Y23), N73 (= N75), G75 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ M102), S101 (= S103), V103 (≠ I105), R110 (= R112)

3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 6:137/143 of 3n76A

query
sites
3n76A

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M
x
R

F

L

G

G

K

R

R
|
R

D

E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P10 (≠ I10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N11), R14 (≠ M14), R18 (= R18), Y23 (= Y23), N74 (= N75), G76 (= G77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ M102), S102 (= S103), R111 (= R112)

4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 6:137/142 of 4b6oA

query
sites
4b6oA

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M

R

F

L

G

G

K

R

R
|
R

D

E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P10 (≠ I10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N11), N74 (= N75), G76 (= G77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ M102), S102 (= S103), R111 (= R112)

3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 6:137/142 of 3n59C

query
sites
3n59C

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M

R

F

L

G

G

K

R

R
|
R

D

E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P10 (≠ I10), N11 (= N11), R18 (= R18), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R18), Y23 (= Y23), G76 (= G77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ M102), S102 (= S103), R111 (= R112)

3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
44% identity, 92% coverage: 6:138/145 of query aligns to 14:145/151 of 3n8kM

query
sites
3n8kM

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M

R

F

L

G

G

K

R

R
|
R

D

E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P18 (≠ I10), N19 (= N11), N82 (= N75), G85 (≠ A78), E106 (= E99), H108 (= H101), R115 (= R108)
binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R18), Y31 (= Y23), N82 (= N75), G84 (= G77), H88 (= H81), H108 (= H101), I109 (≠ M102), S110 (= S103), R119 (= R112)

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)
43% identity, 92% coverage: 6:138/145 of query aligns to 6:137/142 of 4kijA

query
sites
4kijA

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M

R

F

L

G

A

K

R

R
|
R

D
x
E

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H

H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P10 (≠ I10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid: E19 (≠ D19), Y23 (= Y23), N74 (= N75), G76 (= G77), H100 (= H101), I101 (≠ M102), S102 (= S103), R111 (= R112)

2y71A Structure of mycobacterium tuberculosis type ii dehydroquinase complexed with (1r,4s,5r)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate (see paper)
44% identity, 89% coverage: 10:138/145 of query aligns to 6:133/138 of 2y71A

query
sites
2y71A

I

I

N

N

H

G

N
x
P

M
x
N

F

L

G

G

K
x
R

R

L

D

G

P

P

A

A

Q

V

Y
|
Y

G

G

T

G

I

T

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H
|
H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P9 (≠ N13), N10 (≠ M14), Y19 (= Y23), N70 (= N75), G73 (≠ A78), E94 (= E99), H96 (= H101), R103 (= R108)
binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: N10 (≠ M14), R13 (≠ K17), Y19 (= Y23), N70 (= N75), G72 (= G77), G73 (≠ A78), H76 (= H81), H96 (= H101), I97 (≠ M102), S98 (= S103), R107 (= R112)

6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
38% identity, 94% coverage: 1:137/145 of query aligns to 4:140/145 of 6hsaA

query
sites
6hsaA

M

M

K

K

T

I

F

L

V

V

M

-

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

N

M

F

F

L

G

G

K

I

R
|
R

D

E

P

K

A

N

Q

I

Y
|
Y

G

G

T

N

I

E

T

N

L

Y

E

E

E

Y

I

L

D

V

A

N

R

M

L

I

R

N

A

E

L

Y

G

C

D

K

E

S

L

K

G

N

V

I

R

E

V

V

D

E

S

C

F

Y

Q

Q

T

S

N

N

S

H

E

E

A

G

A

A

M

I

C

I

E

D

R

K

I

I

H

Q

Q

E

A

A

F

Y

T

F

D

N

N

G

A

T

D

D

G

G

V

I

L

V

I

I

N
|
N

A

P

G

G

A
|
A

W

Y

T

T

H

H

Y

Y

S

S

Y

Y

G

A

I

I

R

R

D

D

A

A

L

L

A

A

I

S

L

V

T

S

-

H

V

I

P

K

V

K

V

I

E
|
E

I

V

H
|
H

M

I

S

S

N

N

I

V

H
x
N

A

E

R
|
R

E

E

A

E

F

F

R

R

H

H

Q

I

S

S

V

V

F

T

A

E

E

P

I

V

V

C

K

N

G

G

Q
|
Q

I

I

C

V

G

G

F

Q

G

G

V

L

D

K

S

G

Y

Y

L

I

L

M

G

A

L

I

active site: P12 (≠ I10), N13 (= N11), R20 (= R18), Y25 (= Y23), N77 (= N75), A80 (= A78), E102 (= E99), H104 (= H101), R111 (= R108)
binding serine: N109 (≠ H106), Q127 (= Q124)

6hs9A The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
38% identity, 94% coverage: 1:137/145 of query aligns to 4:140/145 of 6hs9A

query
sites
6hs9A

M

M

K

K

T

I

F

L

V

V

M

-

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

N

M

F

F

L

G

G

K

I

R
|
R

D

E

P

K

A

N

Q

I

Y
|
Y

G

G

T

N

I

E

T

N

L

Y

E

E

E

Y

I

L

D

V

A

N

R

M

L

I

R

N

A

E

L

Y

G

C

D

K

E

S

L

K

G

N

V

I

R

E

V

V

D

E

S

C

F

Y

Q

Q

T

S

N

N

S

H

E

E

A

G

A

A

M

I

C

I

E

D

R

K

I

I

H

Q

Q

E

A

A

F

Y

T

F

D

N

N

G

A

T

D

D

G

G

V

I

L

V

I

I

N
|
N

A

P

G
|
G

A
|
A

W

Y

T

T

H
|
H

Y

Y

S

S

Y

Y

G

A

I

I

R

R

D

D

A

A

L

L

A

A

I

S

L

V

T

S

-

H

V

I

P

K

V

K

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

N

A

E

R
|
R

E

E

A

E

F

F

R
|
R

H

H

Q

I

S

S

V

V

F

T

A

E

E

P

I

V

V

C

K

N

G

G

Q

Q

I

I

C

V

G

G

F

Q

G

G

V

L

D

K

S

G

Y

Y

L

I

L

M

G

A

L

I

active site: P12 (≠ I10), N13 (= N11), R20 (= R18), Y25 (= Y23), N77 (= N75), A80 (= A78), E102 (= E99), H104 (= H101), R111 (= R108)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R20 (= R18), Y25 (= Y23), G79 (= G77), A80 (= A78), H83 (= H81), I105 (≠ M102), S106 (= S103), R115 (= R112)

3n8nA Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 6 (see paper)
43% identity, 92% coverage: 6:138/145 of query aligns to 5:132/137 of 3n8nA

query
sites
3n8nA

M

V

L

I

H

N

G

G

I
x
P

N
|
N

H

L

N

G

M

R

F

L

G

G

K

R

R

R

D

E

P

P

A

-

Q

-

Y

-

G

G

T

T

I

-

T

T

L

H

E

D

E

E

I

L

D

V

A

A

R

L

L

I

R

E

A

R

L

E

G

A

D

A

E

E

L

L

G

G

V

L

R

K

V

A

D

V

S

V

F

R

Q

Q

T

S

N

D

S

S

E

E

A

A

A

Q

M

L

C

L

E

D

R

W

I

I

H

H

Q

Q

A

A

F

-

T

A

D

D

N

A

A

A

D

E

G

P

V

V

L

I

I

L

N
|
N

A

A

G
|
G

A
x
G

W

L

T

T

H

H

Y

T

S

S

Y

V

G

A

I

L

R

R

D

D

A

A

L

C

A

A

I

E

L

L

T

S

V

A

P

P

V

L

V

I

E
|
E

I

V

H
|
H

M
x
I

S
|
S

N

N

I

V

H

H

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

Q

H

S

S

V

Y

F

L

A

S

E

P

I

I

V

A

K

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

V

I

D

Q

S

G

Y

Y

L

L

G

A

L

L

R

R

active site: P9 (≠ I10), N10 (= N11), N69 (= N75), G72 (≠ A78), E93 (= E99), H95 (= H101), R102 (= R108)
binding (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid: N69 (= N75), G71 (= G77), G72 (≠ A78), H95 (= H101), I96 (≠ M102), S97 (= S103), R106 (= R112)

2xdaA Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (4r,6r,7s)-2-(2-cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid (see paper)
38% identity, 98% coverage: 1:142/145 of query aligns to 1:143/150 of 2xdaA

query
sites
2xdaA

M

M

K

K

T

I

F

L

V

V

M

-

L

I

H

Q

G

G

I
x
P

N
|
N

H
x
L

N

N

M
|
M

F

L

G

G

K

H

R
|
R

D

D

P

P

A

R

Q

L

Y
|
Y

G

G

T

M

I

V

T

T

L

L

E

D

E

Q

I

I

D

H

A

E

R

I

L

M

R

Q

A

T

L

F

G

V

D

K

E

Q

-

G

-

N

L

L

G

D

V

V

R

E

V

L

D

E

S

F

F

F

Q

Q

T

T

N

N

S

F

E

E

A

G

A

E

M

I

C

I

E

D

R

K

I

I

H

Q

Q

E

A

S

F

V

T

G

D

S

N

D

A

Y

D

E

G

G

V

I

L

I

I

I

N
|
N

A

P

G

G

A
|
A

W

F

T

S

H
|
H

Y

T

S

S

Y

I

G

A

I

I

R

A

D

D

A

A

L

I

A

M

I

L

L

A

T

G

V

K

P

P

V

V

V

I

E
|
E

I

V

H
|
H

M
x
L

S
x
T

N

N

I

I

H

Q

A

A

R
|
R

E

E

A

E

F

F

R
|
R

H

K

Q

N

S

S

V

Y

F

T

A

G

E

A

I

A

V

C

K

G

G

G

Q

V

I

I

C

M

G

G

F

F

G

G

V

P

D

L

S

G

Y

Y

L

N

L

M

G

A

L

L

R

M

A

A

A

M

V

V

S

N

active site: P9 (≠ I10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N11), L11 (≠ H12), M13 (= M14), Y22 (= Y23), N76 (= N75), A79 (= A78), H82 (= H81), H102 (= H101), L103 (≠ M102), T104 (≠ S103), R113 (= R112)

Query Sequence

>WP_013091411.1 NCBI__GCF_000092885.1:WP_013091411.1
MKTFVMLHGINHNMFGKRDPAQYGTITLEEIDARLRALGDELGVRVDSFQTNSEAAMCER
IHQAFTDNADGVLINAGAWTHYSYGIRDALAILTVPVVEIHMSNIHAREAFRHQSVFAEI
VKGQICGFGVDSYLLGLRAAVSAAG

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