SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 207124 MicrobesOnline__882:207124 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)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/167 of Q48255

query
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Q48255

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N76 (= N79) binding
H82 (= H85) binding
D89 (= D92) binding
R113 (= R117) binding

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/158 of 4b6sA

query
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4b6sA

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N13), L14 (= L17), Y22 (= Y25), N76 (= N79), G78 (= G81), A79 (= A82), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/158 of 2xb9A

query
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2xb9A

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N13), Y22 (= Y25), N76 (= N79), A79 (= A82), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/158 of 1j2yA

query
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1j2yA

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y25), N76 (= N79), G78 (= G81), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/157 of 4b6rA

query
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4b6rA

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y25), N76 (= N79), G78 (= G81), A79 (= A82), H82 (= H85), D89 (= D92), L93 (≠ W96), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

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)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/153 of 2xd9A

query
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2xd9A

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
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 (= N13), L14 (= L17), Y22 (= Y25), N76 (= N79), G78 (= G81), A79 (= A82), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 2:142/153 of 2wksA

query
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2wksA

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active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (= L14), Y22 (= Y25), N76 (= N79), G78 (= G81), A79 (= A82), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

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)
41% identity, 92% coverage: 5:147/155 of query aligns to 2:143/150 of 2xdaA

query
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2xdaA

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x
M

L

L

G

G

E

H

R
|
R

Q

D

P

P

E

R

I

L

Y
|
Y

G

G

T

M

T

V

G

T

M

L

D

D

T

Q

V

I

P

H

A

E

L

I

V

M

K

Q

S

T

L

F

L

V

G

K

P

Q

A

G

A

N

S

L

D

D

I

V

E

E

L

L

T

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

I

I

D

D

R

K

L

I

E

Q

Q

E

A

S

R

V

R

G

D

S

G

D

V

Y

D

E

G

G

V

I

I

I

L

I

N
|
N

A

P

G

G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

L

I

A

A

L

I

A

A

D

D

C

A

L

I

A

M

W

L

I

A

G

G

I

K

P

P

C

V

V

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

M

Q

A

A

R
|
R

Q

E

E

E

P

-

M

F

R
|
R

H

K

K

N

S

S

L

Y

I

T

G

G

R

A

H

A

V

C

I

G

G

G

I

V

I

I

A

M

G

G

F

F

G

G

I

P

M

L

G

G

Y

Y

A

N

L

M

A

A

V

L

Q

M

A

A

M

M

V

V

Q

N

active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N76 (= N79), A79 (= A82), E100 (= E103), H102 (= H105), R109 (= R112)
binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N13), L11 (= L14), M13 (≠ A16), Y22 (= Y25), N76 (= N79), A79 (= A82), H82 (= H85), H102 (= H105), L103 (= L106), T104 (≠ S107), R113 (= R117)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
42% identity, 92% coverage: 5:146/155 of query aligns to 11:151/168 of 2c4wA

query
sites
2c4wA

R

K

L

I

L

L

I

V

M

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

G

N

A

M

L
|
L

G

G

E

H

R
|
R

Q
x
D

P

P

E

R

I

L

Y
|
Y

G

G

T

M

T

V

G

T

M

L

D

D

T

Q

V

I

P

H

A

E

L

I

V

M

K

Q

S

T

L

F

L

V

G

K

P

Q

A

G

A

N

S

L

D

D

I

V

E

E

L

L

T

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

I

I

D

D

R

K

L

I

E

Q

Q

E

A

S

R

V

R

G

D

S

G

E

V

Y

D

E

G

G

V

I

I

I

L

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

L

I

A

A

L

I

A

A

D

D

C

A

L

I

A

M

W

L

I

A

G

G

I

K

P

P

C

V

V

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V
x
I

M

Q

A

A

R
|
R

Q

E

E

E

P

-

M

F

R
|
R

H

K

K

N

S

S

L

Y

I

T

G

G

R

A

H

A

V

C

I

G

G

G

I

V

I

I

A

M

G

G

F

F

G

G

I

P

M

L

G

G

Y

Y

A

N

L

M

A

A

V

L

Q

M

A

A

M

M

V

V

active site: P18 (= P12), N19 (= N13), R26 (= R20), Y31 (= Y25), N85 (= N79), A88 (= A82), E109 (= E103), H111 (= H105), R118 (= R112)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L14), L23 (= L17), D27 (≠ Q21), G87 (= G81), H91 (= H85), H111 (= H105), L112 (= L106), T113 (≠ S107), I115 (≠ V109), R122 (= R117)

5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
45% identity, 92% coverage: 6:147/155 of query aligns to 3:141/145 of 5ydbA

query
sites
5ydbA

L

I

L

L

I

V

M

I

N

H

G

G

P
|
P

N
|
N

L

L

G

N

A

L

L

L

G

G

E

K

R
|
R

Q

E

P

P

E

E

I

V

Y
|
Y

G

G

T

H

T

L

G

T

M

L

D

D

T

N

V

I

P

N

A

-

L

-

V

-

K

R

S

Q

L

L

L

I

G

A

P

Q

A

A

A

E

-

Q

S

A

D

S

I

I

E

T

L

L

T

D

F

T

F

F

Q

Q

S

S

N

N

H

W

E

E

G

G

A

A

L

I

I

V

D

D

R

R

L

I

E

H

Q

Q

A

A

R

Q

R

T

D

E

G

G

V

V

D

K

G

L

V

I

I

I

L

I

N
|
N

A

P

G
x
A

A
|
A

F

L

T

T

H
|
H

T

T

S

S

L

V

A

A

L

L

A

R

D

D

C

A

L

L

A

L

W

G

I

V

G

A

I

I

P

P

C

F

V

I

E
|
E

V

V

H
|
H

L
|
L

S
|
S

N

N

V

V

M

H

A

A

R
|
R

Q

-

E

E

P

A

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

L

G

S

R

D

H

K

V

A

I

I

G

G

I

V

I

I

A

C

G

G

F

L

G

G

I

A

M

K

G

G

Y

Y

A

S

L

F

A

A

V

L

Q

D

A

Y

M

A

V

I

Q

E

active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N74 (= N79), A77 (= A82), E98 (= E103), H100 (= H105), R107 (= R112)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N79), A76 (≠ G81), A77 (= A82), H80 (= H85), H100 (= H105), L101 (= L106), S102 (= S107), R111 (= R117)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
45% identity, 92% coverage: 6:147/155 of query aligns to 3:141/145 of 5b6pB

query
sites
5b6pB

L

I

L

L

I

V

M

I

N

H

G

G

P
|
P

N
|
N

L

L

G

N

A

L

L

L

G

G

E

K

R
|
R

Q

E

P

P

E

E

I

V

Y
|
Y

G

G

T

H

T

L

G

T

M

L

D

D

T

N

V

I

P

N

A

-

L

-

V

-

K

R

S

Q

L

L

L

I

G

A

P

Q

A

A

A

E

-

Q

S

A

D

S

I

I

E

T

L

L

T

D

F

T

F

F

Q

Q

S

S

N

N

H

W

E

E

G

G

A

A

L

I

I

V

D

D

R

R

L

I

E

H

Q

Q

A

A

R

Q

R

T

D

E

G

G

V

V

D

K

G

L

V

I

I

I

L

I

N
|
N

A

P

G

A

A
|
A

F

L

T

T

H

H

T

T

S

S

L

V

A

A

L

L

A

R

D

D

C

A

L

L

A

L

W

G

I

V

G

A

I

I

P

P

C

F

V

I

E
|
E

V

V

H
|
H

L
|
L

S
|
S

N

N

V

V

M

H

A

A

R
|
R

Q

-

E

E

P

A

M

F

R

R

H

H

K

H

S

S

L

Y

I

L

G

S

R

D

H

K

V

A

I

I

G

G

I

V

I

I

A

C

G

G

F

L

G

G

I

A

M

K

G

G

Y

Y

A

S

L

F

A

A

V

L

Q

D

A

Y

M

A

V

I

Q

E

active site: P9 (= P12), N10 (= N13), R17 (= R20), Y22 (= Y25), N74 (= N79), A77 (= A82), E98 (= E103), H100 (= H105), R107 (= R112)
binding sulfate ion: N74 (= N79), H100 (= H105), L101 (= L106), S102 (= S107)

2c57A H.Pylori type ii dehydroquinase in complex with fa1 (see paper)
39% identity, 92% coverage: 5:146/155 of query aligns to 15:148/164 of 2c57A

query
sites
2c57A

R

K

L

I

L

L

I

V

M

I

N

Q

G

G

P
|
P

N
|
N

L

L

G

N

A

M

L

L

G

G

E

-

R

-

Q

-

P

-

E

-

I

-

Y

-

G

G

T

M

T

V

G

T

M

L

D

D

T

Q

V

I

P

H

A

E

L

I

V

M

K

Q

S

T

L

F

L

V

G

K

P

Q

A

G

A

N

S

L

D

D

I

V

E

E

L

L

T

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

I

I

D

D

R

K

L

I

E

Q

Q

E

A

S

R

V

R

G

D

S

G

D

V

Y

D

E

G

G

V

I

I

I

L

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

L

I

A

A

L

I

A

A

D

D

C

A

L

I

A

M

W

L

I

A

G

G

I

K

P

P

C

V

V

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

M

Q

A

A

R
|
R

Q

E

E

E

P

-

M

F

R
|
R

H

K

K

N

S

S

L

Y

I

T

G

G

R

A

H

A

V

C

I

G

G

G

I

V

I

I

A

M

G

G

F

F

G

G

I

P

M

L

G

G

Y

Y

A

N

L

M

A

A

V

L

Q

M

A

A

M

M

V

V

active site: P22 (= P12), N23 (= N13), N82 (= N79), A85 (= A82), E106 (= E103), H108 (= H105), R115 (= R112)
binding 2,3 -anhydro-quinic acid: N82 (= N79), G84 (= G81), A85 (= A82), H88 (= H85), H108 (= H105), L109 (= L106), T110 (≠ S107), R119 (= R117)

2cjfA Type ii dehydroquinase inhibitor complex (see paper)
44% identity, 89% coverage: 6:143/155 of query aligns to 8:142/149 of 2cjfA

query
sites
2cjfA

L

I

L

M

I

I

M

L

N

N

G

G

P

P

N
|
N

L
|
L

G

N

A
x
L

L
|
L

G

G

E

Q

R
|
R

Q

Q

P

P

E

E

I

I

Y
|
Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

I

M

H

A

Q

R

R

Q

-

E

E

P

P

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N13), L16 (= L14), L18 (≠ A16), L19 (= L17), R22 (= R20), Y27 (= Y25), N78 (= N79), A80 (≠ G81), A81 (= A82), H84 (= H85), H105 (= H105), I106 (≠ L106), S107 (= S107), R116 (= R117)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
44% identity, 89% coverage: 6:143/155 of query aligns to 8:142/149 of 2bt4A

query
sites
2bt4A

L

I

L

M

I

I

M

L

N

N

G

G

P

P

N
|
N

L

L

G

N

A
x
L

L

L

G

G

E

Q

R
|
R

Q

Q

P

P

E

E

I

I

Y
|
Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

I

M

H

A

Q

R

R

Q

-

E

E

P

P

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N13), L18 (≠ A16), R22 (= R20), Y27 (= Y25), N78 (= N79), A80 (≠ G81), A81 (= A82), H84 (= H85), H105 (= H105), I106 (≠ L106), S107 (= S107), R116 (= R117)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
44% identity, 89% coverage: 6:143/155 of query aligns to 8:142/149 of 1gu1A

query
sites
1gu1A

L

I

L

M

I

I

M

L

N

N

G

G

P
|
P

N
|
N

L
|
L

G

N

A

L

L
|
L

G

G

E

Q

R
|
R

Q

Q

P

P

E

E

I

I

Y
|
Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

I

M

H

A

Q

R
|
R

Q

-

E

E

P

P

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

active site: P14 (= P12), N15 (= N13), R22 (= R20), Y27 (= Y25), N78 (= N79), A81 (= A82), E103 (= E103), H105 (= H105), R112 (= R112)
binding 2,3 -anhydro-quinic acid: Y27 (= Y25), N78 (= N79), A80 (≠ G81), A81 (= A82), H84 (= H85), H105 (= H105), I106 (≠ L106), S107 (= S107), R116 (= R117)
binding glycerol: N15 (= N13), L16 (= L14), L19 (= L17), Y27 (= Y25)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
44% identity, 89% coverage: 6:143/155 of query aligns to 9:143/150 of 1v1jA

query
sites
1v1jA

L

I

L

M

I

I

M

L

N

N

G

G

P
|
P

N
|
N

L

L

G

N

A

L

L

L

G

G

E

Q

R
|
R

Q

Q

P

P

E

E

I

I

Y
|
Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

I

M

H

A

Q

R
|
R

Q

-

E

E

P

P

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

active site: P15 (= P12), N16 (= N13), R23 (= R20), Y28 (= Y25), N79 (= N79), A82 (= A82), E104 (= E103), H106 (= H105), R113 (= R112)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y25), N79 (= N79), A81 (≠ G81), A82 (= A82), H85 (= H85), H106 (= H105), I107 (≠ L106), S108 (= S107), R117 (= R117)

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)
44% identity, 89% coverage: 6:143/155 of query aligns to 10:144/157 of P15474

query
sites
P15474

L

I

L

M

I

I

M

L

N

N

G

G

P

P

N

N

L

L

G

N

A

L

L

L

G

G

E

Q

R
|
R

Q

Q

P

P

E

E

I

I

Y

Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N

N

A

P

G

A

A

A

F

Y

T

S

H

H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E

E

V

V

H

H

L

I

S

S

N

N

V

I

M

H

A

Q

R

R

Q

-

E

E

P

P

M

F

R

R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

R24 (= R20) 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

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
44% identity, 92% coverage: 5:147/155 of query aligns to 3:141/147 of 8idrC

query
sites
8idrC

R

K

L

I

L

L

I

L

M

L

N

N

G

G

P

P

N

N

L

L

G

N

A

M

L

L

G

G

E

K

R

R

Q

E

P

P

E

D

I

I

Y

Y

G

G

T

H

T

D

G

T

M

L

D

E

T

D

V

V

P

V

A

A

L

L

V

A

K

T

S

A

L

-

G

E

P

A

A

A

A

K

S

H

D

G

I

L

E

E

L

V

T

E

F

A

F

L

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

I

D

D

R

A

L

L

E

H

Q

N

A

A

R

R

R

G

D

T

G

H

V

I

D

-

G

G

V

C

I

V

L

I

N
|
N

A

P

G
|
G

A

G

F

L

T

T

H

H

T

T

S

S

L

V

A

A

L

L

A

L

D

D

C

A

L

V

A

K

W

A

I

S

G

E

I

L

P

P

C

T

V

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

P

M

H

A

A

R

R

Q

E

E

E

P

-

M

F

R

R

H

H

K

H

S

S

L

Y

I

I

G

S

R

L

H

A

V

A

I

V

G

S

I

V

I

I

A

A

G

G

F

A

G

G

I

I

M

Q

G

G

Y

Y

A

R

L

F

A

A

V

V

Q

D

A

I

M

L

V

A

Q

N

binding citrate anion: N74 (= N79), G76 (= G81), H100 (= H105), I101 (≠ L106), S102 (= S107)

1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
43% identity, 89% coverage: 6:143/155 of query aligns to 8:142/149 of 1gtzA

query
sites
1gtzA

L

I

L

M

I

I

M

L

N

N

G

G

P
|
P

N
|
N

L

L

G

N

A

L

L

L

G

G

E

Q

R
x
A

Q

Q

P

P

E

E

I

I

Y
|
Y

G

G

T

S

T

D

G

T

M

L

D

A

T

D

V

V

P

E

A

A

L

L

V

C

K

-

S

-

L

V

L

K

G

A

P

A

A

A

S

H

D

G

I

G

E

T

L

V

T

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

I

V

D

D

R

W

L

I

E

H

Q

E

A

A

R

R

R

L

D

N

G

H

V

C

D

-

G

G

V

I

I

V

L

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

L

V

A

A

L

I

A

L

D

D

C

A

L

L

A

N

W

T

I

C

-

D

G

G

I

L

P

P

C

V

V

V

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

I

M

H

A

Q

R
|
R

Q

-

E

E

P

P

M

F

R
|
R

H

H

K

H

S

S

L

Y

I

V

G

S

R

Q

H

R

V

A

I

D

G

G

I

V

A

A

G

G

F

C

G

G

I

V

M

Q

G

G

Y

Y

A

V

L

F

A

G

V

V

Q

E

active site: P14 (= P12), N15 (= N13), A22 (≠ R20), Y27 (= Y25), N78 (= N79), A81 (= A82), E103 (= E103), H105 (= H105), R112 (= R112)
binding 3-dehydroshikimate: Y27 (= Y25), A80 (≠ G81), A81 (= A82), H84 (= H85), H105 (= H105), I106 (≠ L106), S107 (= S107), R116 (= R117)

6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
39% identity, 91% coverage: 5:145/155 of query aligns to 5:143/145 of 6hsaA

query
sites
6hsaA

R

K

L

I

L

L

I

V

M

I

N

N

G

G

P
|
P

N
|
N

L

L

G

N

A

F

L

L

G

G

E

I

R
|
R

Q

E

P

K

E

N

I

I

Y
|
Y

G

G

T

N

T

E

G

N

M

Y

D

E

T

Y

V

L

P

V

A

N

L

M

V

I

K

N

S

E

L

Y

L

C

G

-

P

-

A

K

A

S

S

K

D

N

I

I

E

E

L

V

T

E

F

C

F

Y

Q

Q

S

S

N

N

H

H

E

E

G

G

A

A

L

I

I

I

D

D

R

K

L

I

E

Q

Q

E

A

A

R

Y

R

F

D

N

G

G

V

T

D

D

G

G

V

I

I

V

L

I

N
|
N

A

P

G

G

A
|
A

F

Y

T

T

H

H

T

Y

S

S

L

Y

A

A

L

I

A

R

D

D

C

A

L

L

A

A

W

S

I

V

G

S

-

H

I

I

P

K

C

K

V

I

E
|
E

V

V

H
|
H

L

I

S

S

N

N

V

V

M
x
N

A

E

R
|
R

Q

E

E

E

P

-

M

F

R

R

H

H

K

I

S

S

L

V

I

T

G

E

R

P

H

V

V

C

I

N

G

G

I
x
Q

I

I

A

V

G

G

F

Q

G

G

I

L

M

K

G

G

Y

Y

A

I

L

M

A

A

V

I

Q

D

A

M

M

L

active site: P12 (= P12), N13 (= N13), R20 (= R20), Y25 (= Y25), N77 (= N79), A80 (= A82), E102 (= E103), H104 (= H105), R111 (= R112)
binding serine: N109 (≠ M110), Q127 (≠ I129)

Query Sequence

>207124 MicrobesOnline__882:207124
MPSYRLLIMNGPNLGALGERQPEIYGTTGMDTVPALVKSLLGPAASDIELTFFQSNHEGA
LIDRLEQARRDGVDGVILNAGAFTHTSLALADCLAWIGIPCVEVHLSNVMARQEPMRHKS
LIGRHVIGIIAGFGIMGYALAVQAMVQHSRKSGDA

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