SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011372320.1 NCBI__GCF_000012965.1:WP_011372320.1 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)

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)
56% identity, 96% coverage: 1:153/160 of query aligns to 1:156/167 of Q48255

query
sites
Q48255

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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)
56% identity, 96% coverage: 1:153/160 of query aligns to 1:156/157 of 4b6rA

query
sites
4b6rA

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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 (≠ A75), A79 (= A76), H82 (= H79), D89 (= D86), L93 (≠ A90), 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)
56% identity, 96% coverage: 1:153/160 of query aligns to 1:156/158 of 4b6sA

query
sites
4b6sA

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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 (≠ A75), 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)
56% identity, 96% coverage: 1:153/160 of query aligns to 1:156/158 of 2xb9A

query
sites
2xb9A

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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)
56% identity, 96% coverage: 1:153/160 of query aligns to 1:156/158 of 1j2yA

query
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1j2yA

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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 (≠ A75), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
56% identity, 96% coverage: 1:153/160 of query aligns to 10:165/168 of 2c4wA

query
sites
2c4wA

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active site: P18 (= P9), N19 (= N10), R26 (= R17), Y31 (= Y22), N85 (= N73), A88 (= A76), E109 (= E97), H111 (= H99), R118 (= R106)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L11), L23 (= L14), D27 (≠ E18), G87 (≠ A75), H91 (= H79), H111 (= H99), L112 (≠ I100), T113 (≠ S101), I115 (= I103), R122 (= 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)
56% identity, 94% coverage: 1:150/160 of query aligns to 1:153/153 of 2xd9A

query
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2xd9A

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M

I

V

Q

N

I

I

L

L

N

A

E

E

I

M

K

K

A

A

V

F

Q

Q

E

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)-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 (≠ A75), 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)
56% identity, 94% coverage: 1:150/160 of query aligns to 1:153/153 of 2wksA

query
sites
2wksA

M

M

K

K

I

I

A

L

V

V

I

I

Q

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

M

M

L

L

G

G

V

H

R
|
R

E

D

Q

P

Q

R

I

L

Y
|
Y

G

G

S

M

M

V

K

T

L

L

E

D

Q

Q

I

I

H

H

A

E

Q

I

M

M

R

Q

D

T

F

F

A

V

A

K

Q

Q

S

G

G

N

L

L

-

D

-

V

E

E

I

L

E

E

F

F

Q

Q

S

T

N

N

L

F

E

E

G

G

E

E

I

I

V

I

D

D

K

K

I

I

Q

Q

E

E

C

S

Y

V

G

G

-

S

D

D

V

Y

N

E

G

G

I

I

N
|
N

A

P

A
x
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

I

I

S

M

A

L

V

A

N

G

L

K

P

P

T

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

N

Q

R

A

R
|
R

E

E

F

F

R
|
R

K

K

Q

N

N

S

M

Y

I

T

A

G

P

A

V

A

C

C

T

G

S

G

S

V

I

I

V

M

G

G

F

F

G

G

P

P

F

L

G

G

Y

Y

H

N

L

M

A

A

M

L

V

M

G

A

M

M

I

V

Q

N

I

I

L

L

N

A

E

E

I

M

K

K

A

A

V

F

Q

Q

E

E

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 (= L11), Y22 (= Y22), N76 (= N73), G78 (≠ A75), A79 (= A76), 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)
56% identity, 92% coverage: 1:147/160 of query aligns to 1:150/150 of 2xdaA

query
sites
2xdaA

M

M

K

K

I

I

A

L

V

V

I

I

Q

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

M
|
M

L

L

G

G

V

H

R
|
R

E

D

Q

P

Q

R

I

L

Y
|
Y

G

G

S

M

M

V

K

T

L

L

E

D

Q

Q

I

I

H

H

A

E

Q

I

M

M

R

Q

D

T

F

F

A

V

A

K

Q

Q

S

G

G

N

L

L

-

D

-

V

E

E

I

L

E

E

F

F

Q

Q

S

T

N

N

L

F

E

E

G

G

E

E

I

I

V

I

D

D

K

K

I

I

Q

Q

E

E

C

S

Y

V

G

G

-

S

D

D

V

Y

N

E

G

G

I

I

N
|
N

A

P

A

G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

I

I

S

M

A

L

V

A

N

G

L

K

P

P

T

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

N

Q

R

A

R
|
R

E

E

F

F

R
|
R

K

K

Q

N

N

S

M

Y

I

T

A

G

P

A

V

A

C

C

T

G

S

G

S

V

I

I

V

M

G

G

F

F

G

G

P

P

F

L

G

G

Y

Y

H

N

L

M

A

A

M

L

V

M

G

A

M

M

I

V

Q

N

I

I

L

L

N

A

E

E

I

M

K

K

A

A

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 (= L11), M13 (= M13), Y22 (= Y22), N76 (= N73), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)

2c57A H.Pylori type ii dehydroquinase in complex with fa1 (see paper)
55% identity, 96% coverage: 1:153/160 of query aligns to 14:162/164 of 2c57A

query
sites
2c57A

M

M

K

K

I

I

A

L

V

V

I

I

Q

Q

G

G

P
|
P

N
|
N

L

L

N

N

M

M

L

L

G

G

V

-

R

-

E

-

Q

-

I

-

Y

-

G

G

S

M

M

V

K

T

L

L

E

D

Q

Q

I

I

H

H

A

E

Q

I

M

M

R

Q

D

T

F

F

A

V

A

K

Q

Q

S

G

G

N

L

L

-

D

-

V

E

E

I

L

E

E

F

F

Q

Q

S

T

N

N

L

F

E

E

G

G

E

E

I

I

V

I

D

D

K

K

I

I

Q

Q

E

E

C

S

Y

V

G

G

-

S

D

D

V

Y

N

E

G

G

I

I

N
|
N

A

P

A
x
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

I

I

S

M

A

L

V

A

N

G

L

K

P

P

T

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

N

Q

R

A

R
|
R

E

E

F

F

R
|
R

K

K

Q

N

N

S

M

Y

I

T

A

G

P

A

V

A

C

C

T

G

S

G

S

V

I

I

V

M

G

G

F

F

G

G

P

P

F

L

G

G

Y

Y

H

N

L

M

A

A

M

L

V

M

G

A

M

M

I

V

Q

N

I

I

L

L

N

A

E

E

I

M

K

K

A

A

V

F

Q

Q

E

E

M

A

Q

Q

K

K

active site: P22 (= P9), N23 (= N10), N82 (= N73), A85 (= A76), E106 (= E97), H108 (= H99), R115 (= R106)
binding 2,3 -anhydro-quinic acid: N82 (= N73), G84 (≠ A75), A85 (= A76), H88 (= H79), H108 (= H99), L109 (≠ I100), T110 (≠ S101), R119 (= R110)

6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
50% identity, 84% coverage: 1:135/160 of query aligns to 4:140/145 of 6hsaA

query
sites
6hsaA

M

M

K

K

I

I

A

L

V

V

I

I

Q

N

G

G

P
|
P

N
|
N

L

L

N

N

M

F

L

L

G

G

V

I

R
|
R

E

E

Q

K

Q

N

I

I

Y
|
Y

G

G

S

N

M

E

K

N

L

Y

E

E

Q

Y

I

L

H

V

A

N

Q

M

M

I

R

N

D

E

F

Y

A

C

A

K

Q

S

S

K

G

N

L

I

E

E

I

V

E

E

F

C

F

Y

Q

Q

S

S

N

N

L

H

E

E

G

G

E

A

I

I

V

I

D

D

K

K

I

I

Q

Q

E

E

C

A

Y

Y

-

F

G

N

D

G

V

T

N

D

G

G

I

I

I

V

I

I

N
|
N

A

P

A

G

A
|
A

Y

Y

T

T

H

H

T

Y

S

S

I

Y

A

A

I

I

R

R

D

D

A

A

I

L

S

A

A

S

V

V

-

S

N

H

L

I

P

K

T

K

V

I

E
|
E

V

V

H
|
H

I

I

S

S

N

N

I

V

N
|
N

R

E

R
|
R

E

E

F

F

R

R

K

H

Q

I

N

S

M

V

I

T

A

E

P

P

V

V

C

C

T

N

S

G

S
x
Q

I

I

V

V

G

G

F

Q

G

G

P

L

F

K

G

G

Y

Y

H

I

L

M

A

A

M

I

active site: P12 (= P9), N13 (= N10), R20 (= R17), Y25 (= Y22), N77 (= N73), A80 (= A76), E102 (= E97), H104 (= H99), R111 (= R106)
binding serine: N109 (= N104), Q127 (≠ S122)

6hs9A The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
50% identity, 84% coverage: 1:135/160 of query aligns to 4:140/145 of 6hs9A

query
sites
6hs9A

M

M

K

K

I

I

A

L

V

V

I

I

Q

N

G

G

P
|
P

N
|
N

L

L

N

N

M

F

L

L

G

G

V

I

R
|
R

E

E

Q

K

Q

N

I

I

Y
|
Y

G

G

S

N

M

E

K

N

L

Y

E

E

Q

Y

I

L

H

V

A

N

Q

M

M

I

R

N

D

E

F

Y

A

C

A

K

Q

S

S

K

G

N

L

I

E

E

I

V

E

E

F

C

F

Y

Q

Q

S

S

N

N

L

H

E

E

G

G

E

A

I

I

V

I

D

D

K

K

I

I

Q

Q

E

E

C

A

Y

Y

-

F

G

N

D

G

V

T

N

D

G

G

I

I

I

V

I

I

N
|
N

A

P

A
x
G

A
|
A

Y

Y

T

T

H
|
H

T

Y

S

S

I

Y

A

A

I

I

R

R

D

D

A

A

I

L

S

A

A

S

V

V

-

S

N

H

L

I

P

K

T

K

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

N

N

R

E

R
|
R

E

E

F

F

R
|
R

K

H

Q

I

N

S

M

V

I

T

A

E

P

P

V

V

C

C

T

N

S

G

S

Q

I

I

V

V

G

G

F

Q

G

G

P

L

F

K

G

G

Y

Y

H

I

L

M

A

A

M

I

active site: P12 (= P9), N13 (= N10), R20 (= R17), Y25 (= Y22), N77 (= N73), A80 (= A76), E102 (= E97), H104 (= H99), R111 (= R106)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R20 (= R17), Y25 (= Y22), G79 (≠ A75), A80 (= A76), H83 (= H79), I105 (= I100), S106 (= S101), R115 (= R110)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 93% coverage: 2:149/160 of query aligns to 3:146/147 of 8idrC

query
sites
8idrC

K

K

I

I

A

L

V

L

I

L

Q

N

G

G

P

P

N

N

L

L

N

N

M

M

L

L

G

G

V

K

R

R

E

E

Q

P

Q

D

I

I

Y

Y

G

G

S

H

M

D

K

T

L

L

E

E

Q

D

I

V

H

V

A

A

Q

L

M

A

R

T

D

A

F

E

A

A

Q

K

S

H

G

G

L

L

E

E

I

V

E

E

F

A

F

L

Q

Q

S

S

N

N

L

H

E

E

G

G

E

E

I

L

V

I

D

D

K

A

I

L

Q

H

E

N

C

A

Y

R

G

G

D

T

V

H

N

I

G

G

I

C

I

V

I

I

N
|
N

A

P

A
x
G

A

G

Y

L

T

T

H

H

T

T

S

S

I

V

A

A

I

L

R

L

D

D

A

A

I

V

S

K

A

A

V

S

N

E

L

L

P

P

T

T

V

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

P

N

H

R

A

R

R

E

E

F

F

R

R

K

H

Q

H

N

S

M

Y

I

I

A

S

P

L

V

A

C

A

T

V

S

S

S

V

I

I

V

A

G

G

F

A

G

G

P

I

F

Q

G

G

Y

Y

H

R

L

F

A

A

M

-

V

-

G

-

M

-

I

V

Q

D

I

I

L

L

N

A

E

N

I

L

K

K

A

K

V

L

Q

E

binding citrate anion: N74 (= N73), G76 (≠ A75), H100 (= H99), I101 (= I100), S102 (= S101)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 91% coverage: 2:146/160 of query aligns to 3:143/145 of 8iduA

query
sites
8iduA

K

K

I

I

A

L

V

L

I

L

Q

N

G

G

P

P

N

N

L

L

N

N

M

M

L

L

G

G

V

K

R

A

E

E

Q

P

Q

D

I

I

Y
|
Y

G

G

S

H

M

D

K

T

L

L

E

E

Q

D

I

V

H

V

A

A

Q

L

M

A

R

T

D

A

F

E

A

A

Q

K

S

H

G

G

L

L

E

E

I

V

E

E

F

A

F

L

Q

Q

S

S

N

N

L

H

E

E

G

G

E

E

I

L

V

I

D

D

K

A

I

L

Q

H

E

N

C

A

Y

R

G

G

D

T

V

H

N

I

G

G

I

C

I

V

I

I

N
|
N

A

P

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

I

V

A

A

I

L

R

L

D

D

A

A

I

V

S

K

A

A

V

S

N

E

L

L

P

P

T

T

V

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

P

N

H

R

A

R

R

E

E

F

F

R
|
R

K

H

Q

H

N

S

M

Y

I

I

A

S

P

L

V

A

C

A

T

V

S

S

S

V

I

I

V

A

G

G

F

A

G

G

P

I

F

Q

G

G

Y

Y

H

R

L

F

A

A

M

-

V

-

G

-

M

-

I

V

Q

D

I

I

L

L

N

A

E

N

I

L

K

K

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y22), N74 (= N73), G76 (≠ A75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)

5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
46% identity, 83% coverage: 3:135/160 of query aligns to 3:136/145 of 5ydbA

query
sites
5ydbA

I

I

A

L

V

V

I

I

Q

H

G

G

P
|
P

N
|
N

L

L

N

N

M

L

L

L

G

G

V

K

R
|
R

E

E

Q

P

Q

E

I

V

Y
|
Y

G

G

S

H

M

L

K

T

L

L

E

D

Q

N

I

I

H

N

A

R

Q

Q

M

L

R

I

D

A

F

Q

A

A

A

E

Q

Q

S

A

G

S

L

I

E

T

I

L

E

D

F

T

F

F

Q

Q

S

S

N

N

L

W

E

E

G

G

E

A

I

I

V

V

D

D

K

R

I

I

Q

H

E

Q

C

A

Y

Q

G

T

D

E

-

G

V

V

N

K

G

L

I

I

N
|
N

A

P

A
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A

Y

L

T

T

H
|
H

T

T

S

S

I

V

A

A

I

L

R

R

D

D

A

A

I

L

S

L

A

G

V

V

N

A

L

I

P

P

T

F

V

I

E
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E

V

V

H
|
H

I
x
L

S
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S

N

N

I

V

N

H

R

A

R
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R

E

E

E

A

F

F

R
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R

K

H

Q

H

N

S

M

Y

I

L

A

S

P

D

V

K

C

A

T

I

S

G

S

V

I

I

V

C

G

G

F

L

G

G

P

A

F

K

G

G

Y

Y

H

S

L

F

A

A

M

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N74 (= N73), A77 (= A76), E98 (= E97), H100 (= H99), R107 (= R106)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N73), A76 (= A75), A77 (= A76), H80 (= H79), H100 (= H99), L101 (≠ I100), S102 (= S101), R111 (= R110)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
46% identity, 83% coverage: 3:135/160 of query aligns to 3:136/145 of 5b6pB

query
sites
5b6pB

I

I

A

L

V

V

I

I

Q

H

G

G

P
|
P

N
|
N

L

L

N

N

M

L

L

L

G

G

V

K

R
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R

E

E

Q

P

Q

E

I

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Y
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Y

G

G

S

H

M

L

K

T

L

L

E

D

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N

I

I

H

N

A

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Q

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M

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F

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A

A

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Q

S

A

G

S

L

I

E

T

I

L

E

D

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T

F

F

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S

N

N

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W

E

E

G

G

E

A

I

I

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V

D

D

K

R

I

I

Q

H

E

Q

C

A

Y

Q

G

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D

E

-

G

V

V

N

K

G

L

I

I

N
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N

A

P

A

A

A
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A

Y

L

T

T

H

H

T

T

S

S

I

V

A

A

I

L

R

R

D

D

A

A

I

L

S

L

A

G

V

V

N

A

L

I

P

P

T

F

V

I

E
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E

V

V

H
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H

I
x
L

S
|
S

N

N

I

V

N

H

R

A

R
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R

E

E

E

A

F

F

R

R

K

H

Q

H

N

S

M

Y

I

L

A

S

P

D

V

K

C

A

T

I

S

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S

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I

I

V

C

G

G

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L

G

G

P

A

F

K

G

G

Y

Y

H

S

L

F

A

A

M

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N74 (= N73), A77 (= A76), E98 (= E97), H100 (= H99), R107 (= R106)
binding sulfate ion: N74 (= N73), H100 (= H99), L101 (≠ I100), S102 (= S101)

P15474 3-dehydroquinate dehydratase; 3-dehydroquinase; Type II DHQase; EC 4.2.1.10 from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
47% identity, 81% coverage: 3:131/160 of query aligns to 10:139/157 of P15474

query
sites
P15474

I

I

A

M

V

I

I

L

Q

N

G

G

P

P

N

N

L

L

N

N

M

L

L

L

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G

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R
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R

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Q

P

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I

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Y

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A

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G

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G

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D

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F

F

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Q

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S

N

N

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H

E

E

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G

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E

I

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V

D

D

K

W

I

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H

E

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C

A

Y

R

G

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D

N

V

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N

C

G

G

I

I

I

V

I

I

N

N

A

P

A

A

Y

Y

T

S

H

H

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T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

I

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S

N

A

T

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C

N

D

-

G

L

L

P

P

T

V

V

V

E

E

V

V

H

H

I

I

S

S

N

N

I

I

N

H

R

Q

R

R

E

E

E

P

F

F

R

R

K

H

Q

H

N

S

M

Y

I

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V

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G

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G

G

Y

Y

R24 (= R17) mutation to A: Reduces kcat 30000-fold. Reduces KM for 3-dehydroquinate 6-fold.; mutation to K: Reduces kcat 2700-fold. Reduces KM for 3-dehydroquinate 4-fold.; mutation to Q: Reduces kcat 3100-fold. Reduces KM for 3-dehydroquinate 8-fold.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2cjfA Type ii dehydroquinase inhibitor complex (see paper)
47% identity, 81% coverage: 3:131/160 of query aligns to 8:137/149 of 2cjfA

query
sites
2cjfA

I

I

A

M

V

I

I

L

Q

N

G

G

P

P

N
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N

L
|
L

N

N

M
x
L

L
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L

G

G

V

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R
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R

E

Q

Q

P

Q

E

I

I

Y
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Y

G

G

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K

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I

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H

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A

A

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A

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A

S

H

G

G

L

G

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I

V

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D

F

F

F

R

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Q

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S

N

N

L

H

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E

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G

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E

I

L

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V

D

D

K

W

I

I

Q

H

E

E

C

A

Y

R

G

L

D

N

V

H

N

C

G

G

I

I

I

V

I

I

N
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N

A

P

A
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A

Y

Y

T

S

H
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H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

I

L

S

N

A

T

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C

N

D

-

G

L

L

P

P

T

V

V

V

E

E

V

V

H
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H

I
|
I

S
|
S

N

N

I

I

N

H

R

Q

R

R

E

E

E

P

F

F

R
|
R

K

H

Q

H

N

S

M

Y

I

V

A

S

P

Q

V

R

C

A

T

D

S

G

S

V

I

V

V

A

G

G

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C

G

G

P

V

F

Q

G

G

Y

Y

binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N10), L16 (= L11), L18 (≠ M13), L19 (= L14), R22 (= R17), Y27 (= Y22), N78 (= N73), A80 (= A75), A81 (= A76), H84 (= H79), H105 (= H99), I106 (= I100), S107 (= S101), R116 (= R110)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
47% identity, 81% coverage: 3:131/160 of query aligns to 8:137/149 of 2bt4A

query
sites
2bt4A

I

I

A

M

V

I

I

L

Q

N

G

G

P

P

N
|
N

L

L

N

N

M
x
L

L

L

G

G

V

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R
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R

E

Q

Q

P

Q

E

I

I

Y
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Y

G

G

S

S

M

D

K

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L

L

E

A

Q

D

I

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H

E

A

A

Q

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M

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D

K

F

A

A

A

Q

A

S

H

G

G

L

G

E

T

I

V

E

D

F

F

F

R

Q

Q

S

S

N

N

L

H

E

E

G

G

E

E

I

L

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V

D

D

K

W

I

I

Q

H

E

E

C

A

Y

R

G

L

D

N

V

H

N

C

G

G

I

I

I

V

I

I

N
|
N

A

P

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

I

L

S

N

A

T

V

C

N

D

-

G

L

L

P

P

T

V

V

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

I

N

H

R

Q

R

R

E

E

E

P

F

F

R
|
R

K

H

Q

H

N

S

M

Y

I

V

A

S

P

Q

V

R

C

A

T

D

S

G

S

V

I

V

V

A

G

G

F

C

G

G

P

V

F

Q

G

G

Y

Y

binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N10), L18 (≠ M13), R22 (= R17), Y27 (= Y22), N78 (= N73), A80 (= A75), A81 (= A76), H84 (= H79), H105 (= H99), I106 (= I100), S107 (= S101), R116 (= R110)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
47% identity, 81% coverage: 3:131/160 of query aligns to 8:137/149 of 1gu1A

query
sites
1gu1A

I

I

A

M

V

I

I

L

Q

N

G

G

P
|
P

N
|
N

L
|
L

N

N

M

L

L
|
L

G

G

V

Q

R
|
R

E

Q

Q

P

Q

E

I

I

Y
|
Y

G

G

S

S

M

D

K

T

L

L

E

A

Q

D

I

V

H

E

A

A

Q

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K

F

A

A

A

Q

A

S

H

G

G

L

G

E

T

I

V

E

D

F

F

F

R

Q

Q

S

S

N

N

L

H

E

E

G

G

E

E

I

L

V

V

D

D

K

W

I

I

Q

H

E

E

C

A

Y

R

G

L

D

N

V

H

N

C

G

G

I

I

I

V

I

I

N
|
N

A

P

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

I

L

S

N

A

T

V

C

N

D

-

G

L

L

P

P

T

V

V

V

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

I

N

H

R

Q

R
|
R

E

E

E

P

F

F

R
|
R

K

H

Q

H

N

S

M

Y

I

V

A

S

P

Q

V

R

C

A

T

D

S

G

S

V

I

V

V

A

G

G

F

C

G

G

P

V

F

Q

G

G

Y

Y

active site: P14 (= P9), N15 (= N10), R22 (= R17), Y27 (= Y22), N78 (= N73), A81 (= A76), E103 (= E97), H105 (= H99), R112 (= R106)
binding 2,3 -anhydro-quinic acid: Y27 (= Y22), N78 (= N73), A80 (= A75), A81 (= A76), H84 (= H79), H105 (= H99), I106 (= I100), S107 (= S101), R116 (= R110)
binding glycerol: N15 (= N10), L16 (= L11), L19 (= L14), Y27 (= Y22)

Query Sequence

>WP_011372320.1 NCBI__GCF_000012965.1:WP_011372320.1
MKIAVIQGPNLNMLGVREQQIYGSMKLEQIHAQMRDFAAQSGLEIEFFQSNLEGEIVDKI
QECYGDVNGIIINAAAYTHTSIAIRDAISAVNLPTVEVHISNINRREEFRKQNMIAPVCT
SSIVGFGPFGYHLAMVGMIQILNEIKAVQEMQKQQAPQAE

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