SitesBLAST

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)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/167 of Q48255

query
sites
Q48255

M

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N76 (= N73) binding substrate
H82 (= H79) binding substrate
D89 (= D86) binding substrate
R113 (= R110) binding substrate

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/157 of 4b6rA

query
sites
4b6rA

M

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), D89 (= D86), L93 (≠ S90), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

2xd9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (4r,6r,7s)-4,6,7-trihydroxy-2-((e)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/153 of 2xd9A

query
sites
2xd9A

M

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N10), L14 (= L14), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/153 of 2wksA

query
sites
2wksA

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (≠ I11), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 4b6sA

query
sites
4b6sA

M

M

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N10), L14 (= L14), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 2xb9A

query
sites
2xb9A

M

M

K

K

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N10), Y22 (= Y22), N76 (= N73), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 1j2yA

query
sites
1j2yA

M

M

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K

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L

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Y

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N

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R

R

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M

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y22), N76 (= N73), G78 (= G75), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

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)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/150 of 2xdaA

query
sites
2xdaA

M

M

K

K

I

I

L

L

V

V

I

I

N

Q

G

G

P
|
P

N
|
N

I
x
L

N

N

F
x
M

L

L

G

G

I

H

R
|
R

E

D

K

P

E

R

I

L

Y
|
Y

G

G

E

M

G

V

T

T

-

L

-

D

-

Q

-

I

Y

H

E

E

D

I

L

M

C

Q

K

T

F

F

I

V

K

K

D

Q

E

-

G

-

S

G

K

N

I

L

G

D

I

V

E

E

V

L

E

E

V

F

M

F

Q

Q

S

T

N

N

I

F

E

E

G

G

E

E

I

I

N

D

F

K

L

I

Q

Q

A

E

A

S

Y

V

-

G

N

S

K

D

V

Y

D

E

G

G

I

I

V

I

I

I

N
|
N

P

P

G

G

A
|
A

Y

F

T

S

H
|
H

Y

T

S

S

I

I

A

A

I

I

Y

A

D

D

A

A

I

I

K

M

S

L

I

A

N

G

I

K

P

P

T

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

H

Q

T

A

R
|
R

E

E

Y

F

R
|
R

R

K

K

N

S

S

V

Y

T

T

A

G

P

A

A

A

C

C

I

G

G

G

Q

V

I

I

C

M

G

G

F

F

G

G

F

P

Y

L

G

G

Y

Y

V

N

M

M

G

A

I

L

T

M

A

A

L

M

K

V

N

N

M

I

L

L

S

A

K

E

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N10), L11 (≠ I11), M13 (≠ F13), Y22 (= Y22), N76 (= N73), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
39% identity, 91% coverage: 5:135/144 of query aligns to 5:135/140 of 4cl0A

query
sites
4cl0A

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F

R

L

L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R17), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)

4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 6:139/142 of 4b6oA

query
sites
4b6oA

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F

R

L

L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P10 (= P9), N11 (= N10), R18 (= R17), Y23 (= Y22), N74 (= N73), G77 (≠ A76), E98 (= E97), H100 (= H99), R107 (= R106)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N10), N74 (= N73), G76 (= G75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)

3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 6:139/142 of 3n59C

query
sites
3n59C

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F

R

L

L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P10 (= P9), N11 (= N10), R18 (= R17), N74 (= N73), G77 (≠ A76), E98 (= E97), H100 (= H99), R107 (= R106)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R17), Y23 (= Y22), G76 (= G75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)

3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 14:147/151 of 3n8kM

query
sites
3n8kM

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F

R

L

L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P18 (= P9), N19 (= N10), N82 (= N73), G85 (≠ A76), E106 (= E97), H108 (= H99), R115 (= R106)
binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R17), Y31 (= Y22), N82 (= N73), G84 (= G75), H88 (= H79), H108 (= H99), I109 (= I100), S110 (= S101), R119 (= R110)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/142 of 4b6pA

query
sites
4b6pA

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F

R

L
|
L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N10), L14 (= L14), R17 (= R17), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)

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)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/141 of 4kiwA

query
sites
4kiwA

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I
x
L

N

G

F
x
R

L
|
L

G

G

I

R

R
|
R

E

E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I
x
V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N10), L11 (≠ I11), R13 (≠ F13), L14 (= L14), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), V103 (≠ I103), R110 (= R110)

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)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/141 of 4kiuA

query
sites
4kiuA

V

V

I

I

N

N

G

G

P
|
P

N
|
N

I

L

N

G

F
x
R

L
|
L

G

G

I

R

R
|
R

E
|
E

K

P

E

A

I

V

Y
|
Y

G

G

E

G

G

T

T

T

Y

H

E

D

D

E

L

L

C

V

K

A

F

L

I

I

K

E

D

R

E

E

G

A

S

A

K

E

I

L

G

G

I

L

E

K

V

A

E

V

V

V

M

R

Q

Q

S

S

N

D

I

S

E

E

G

A

E

Q

I

L

N

D

F

W

L

I

Q

H

A

Q

A

A

Y

A

N

D

K

A

V

A

D

E

G

P

I

V

V

I

I

L

N
|
N

P

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

Y

T

S

S

I

V

A

A

I

L

Y

R

D

D

A

A

I

C

K

A

S

E

I

L

N

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

H

H

T

A

R
|
R

E

E

Y

F

R
|
R

R

R

K

H

S

S

V

Y

T

L

A

S

P

P

A

I

C

A

I

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

F

I

Y

Q

G

G

Y

Y

V

L

M

L

G

A

I

L

T

R

A

Y

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N10), R13 (≠ F13), L14 (= L14), E18 (= E18), Y22 (= Y22), G75 (= G75), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)

Query Sequence

>WP_010964217.1 NCBI__GCF_000008765.1:WP_010964217.1
MKILVINGPNINFLGIREKEIYGEGTYEDLCKFIKDEGSKIGIEVEVMQSNIEGEIINFL
QAAYNKVDGIVINPGAYTHYSIAIYDAIKSINIPTVEVHISNIHTREEYRRKSVTAPACI
GQICGFGFYGYVMGITALKNMLSK

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