SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013009416.1 NCBI__GCF_000025725.1:WP_013009416.1 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, 97% coverage: 3:138/140 of query aligns to 3:142/145 of 5ydbA

query
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5ydbA

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N74 (= N70), A77 (= A73), E98 (= E94), H100 (= H96), R107 (= R103)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N70), A76 (≠ G72), A77 (= A73), H80 (= H76), H100 (= H96), L101 (≠ I97), S102 (= S98), R111 (= R107)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
57% identity, 97% coverage: 3:138/140 of query aligns to 3:142/145 of 5b6pB

query
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5b6pB

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N74 (= N70), A77 (= A73), E98 (= E94), H100 (= H96), R107 (= R103)
binding sulfate ion: N74 (= N70), H100 (= H96), L101 (≠ I97), S102 (= S98)

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)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/167 of Q48255

query
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Q48255

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N76 (= N70) binding substrate
H82 (= H76) binding substrate
D89 (= D83) binding substrate
R113 (= R107) binding substrate

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/157 of 4b6rA

query
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4b6rA

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y22), N76 (= N70), G78 (= G72), A79 (= A73), H82 (= H76), D89 (= D83), L93 (≠ A87), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

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)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/153 of 2xd9A

query
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2xd9A

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
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 (= N70), G78 (= G72), A79 (= A73), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/153 of 2wksA

query
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2wksA

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
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 (= N70), G78 (= G72), A79 (= A73), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

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)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/150 of 2xdaA

query
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2xdaA

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active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
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 (= N70), A79 (= A73), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/158 of 4b6sA

query
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4b6sA

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F

Q

Q

S

T

N

N

H

F

E

E

G

G

D

E

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

T

S

-

V

-

G

-

S

D

D

A

Y

D

E

G

G

M

I

I

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

K

K

E

P

F

V

I

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

V

I

F

Q

A

A

R
|
R

E

E

D

E

F

F

R
|
R

H

K

K

N

S

S

Y

Y

L

T

S

G

D

A

I

A

S

C

K

G

G

G

V

V

I

I

S

M

G

G

F

F

G

G

A

P

M

L

S

G

Y

Y

A

N

F

M

A

A

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
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 (= N70), G78 (= G72), A79 (= A73), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/158 of 2xb9A

query
sites
2xb9A

M

M

E

K

I

I

L

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

M

M

L

L

G

G

K

H

R
|
R

E

D

K

P

S

R

I

L

Y
|
Y

G

G

E

M

M

V

T

T

L

L

N

D

S

Q

I

I

N

H

E

E

M

I

L

M

-

Q

-

T

-

F

L

V

A

K

R

Q

A

G

G

N

G

L

R

D

C

V

E

E

L

L

E

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

D

E

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

T

S

-

V

-

G

-

S

D

D

A

Y

D

E

G

G

M

I

I

I

N
|
N

A

P

G

G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

K

K

E

P

F

V

I

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

V

I

F

Q

A

A

R
|
R

E

E

D

E

F

F

R
|
R

H

K

K

N

S

S

Y

Y

L

T

S

G

D

A

I

A

S

C

K

G

G

G

V

V

I

I

S

M

G

G

F

F

G

G

A

P

M

L

S

G

Y

Y

A

N

F

M

A

A

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N10), Y22 (= Y22), N76 (= N70), A79 (= A73), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
50% identity, 94% coverage: 1:132/140 of query aligns to 1:138/158 of 1j2yA

query
sites
1j2yA

M

M

E

K

I

I

L

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

M

M

L

L

G

G

K

H

R
|
R

E

D

K

P

S

R

I

L

Y
|
Y

G

G

E

M

M

V

T

T

L

L

N

D

S

Q

I

I

N

H

E

E

M

I

L

M

-

Q

-

T

-

F

L

V

A

K

R

Q

A

G

G

N

G

L

R

D

C

V

E

E

L

L

E

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

D

E

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

T

S

-

V

-

G

-

S

D

D

A

Y

D

E

G

G

M

I

I

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

K

K

E

P

F

V

I

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

V

I

F

Q

A

A

R
|
R

E

E

D

E

F

F

R
|
R

H

K

K

N

S

S

Y

Y

L

T

S

G

D

A

I

A

S

C

K

G

G

G

V

V

I

I

S

M

G

G

F

F

G

G

A

P

M

L

S

G

Y

Y

A

N

F

M

A

A

L

L

active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N70), A79 (= A73), E100 (= E94), H102 (= H96), R109 (= R103)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y22), N76 (= N70), G78 (= G72), H82 (= H76), H102 (= H96), L103 (≠ I97), T104 (≠ S98), R113 (= R107)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
49% identity, 94% coverage: 1:132/140 of query aligns to 10:147/168 of 2c4wA

query
sites
2c4wA

M

M

E

K

I

I

L

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

M

M

L
|
L

G

G

K

H

R
|
R

E
x
D

K

P

S

R

I

L

Y
|
Y

G

G

E

M

M

V

T

T

L

L

N

D

S

Q

I

I

N

H

E

E

M

I

L

M

-

Q

-

T

-

F

L

V

A

K

R

Q

A

G

G

N

G

L

R

D

C

V

E

E

L

L

E

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

D

E

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

T

S

-

V

-

G

-

S

D

E

A

Y

D

E

G

G

M

I

I

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

K

K

E

P

F

V

I

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

V
x
I

F

Q

A

A

R
|
R

E

E

D

E

F

F

R
|
R

H

K

K

N

S

S

Y

Y

L

T

S

G

D

A

I

A

S

C

K

G

G

G

V

V

I

I

S

M

G

G

F

F

G

G

A

P

M

L

S

G

Y

Y

A

N

F

M

A

A

L

L

active site: P18 (= P9), N19 (= N10), R26 (= R17), Y31 (= Y22), N85 (= N70), A88 (= A73), E109 (= E94), H111 (= H96), R118 (= R103)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L11), L23 (= L14), D27 (≠ E18), G87 (= G72), H91 (= H76), H111 (= H96), L112 (≠ I97), T113 (≠ S98), I115 (≠ V100), R122 (= R107)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 99% coverage: 2:140/140 of query aligns to 3:144/147 of 8idrC

query
sites
8idrC

E

K

I

I

L

L

I

L

N

N

G

G

P

P

N

N

L

L

N

N

M

M

L

L

G

G

K

K

R

R

E

E

K

P

S

D

I

I

Y

Y

G

G

E

H

M

D

T

T

L

L

N

E

S

D

I

V

N

V

E

A

M

L

L

A

L

T

A

A

R

E

A

A

G

A

G

K

R

H

-

G

C

L

E

E

L

V

E

E

F

A

F

L

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

I

G

D

M

A

I

L

Q

H

-

N

-

A

R

R

T

G

D

T

A

H

D

I

G

G

M

C

I

V

I

I

N
|
N

A

P

G
|
G

A

G

F

L

T

T

H

H

T

T

S

S

I

V

A

A

I

L

R

L

D

D

A

A

L

V

L

K

A

A

V

S

S

E

K

L

E

P

F

T

I

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

P

F

H

A

A

R

R

E

E

D

E

F

F

R

R

H

H

K

H

S

S

Y

Y

L

I

S

S

D

L

I

A

S

A

K

V

G

S

V

V

I

I

S

A

G

G

F

A

G

G

A

I

M

Q

S

G

Y

Y

A

R

F

F

A

A

L

V

D

D

Y

I

F

L

L

A

E

N

Q

L

K

K

binding citrate anion: N74 (= N70), G76 (= G72), H100 (= H96), I101 (= I97), S102 (= S98)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
46% identity, 99% coverage: 2:140/140 of query aligns to 3:144/145 of 8iduA

query
sites
8iduA

E

K

I

I

L

L

I

L

N

N

G

G

P

P

N

N

L

L

N

N

M

M

L

L

G

G

K

K

R

A

E

E

K

P

S

D

I

I

Y
|
Y

G

G

E

H

M

D

T

T

L

L

N

E

S

D

I

V

N

V

E

A

M

L

L

A

L

T

A

A

R

E

A

A

G

A

G

K

R

H

-

G

C

L

E

E

L

V

E

E

F

A

F

L

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

I

G

D

M

A

I

L

Q

H

-

N

-

A

R

R

T

G

D

T

A

H

D

I

G

G

M

C

I

V

I

I

N
|
N

A

P

G
|
G

A
x
G

F

L

T

T

H
|
H

T

T

S

S

I

V

A

A

I

L

R

L

D

D

A

A

L

V

L

K

A

A

V

S

S

E

K

L

E

P

F

T

I

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

P

F

H

A

A

R

R

E

E

D

E

F

F

R
|
R

H

H

K

H

S

S

Y

Y

L

I

S

S

D

L

I

A

S

A

K

V

G

S

V

V

I

I

S

A

G

G

F

A

G

G

A

I

M

Q

S

G

Y

Y

A

R

F

F

A

A

L

V

D

D

Y

I

F

L

L

A

E

N

Q

L

K

K

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y22), N74 (= N70), G76 (= G72), G77 (≠ A73), H80 (= H76), H100 (= H96), I101 (= I97), S102 (= S98), R111 (= R107)

6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
51% identity, 95% coverage: 1:133/140 of query aligns to 4:141/145 of 6hsaA

query
sites
6hsaA

M

M

E

K

I

I

L

L

I

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

N

N

M

F

L

L

G

G

K

I

R
|
R

E

E

K

K

S

N

I

I

Y
|
Y

G

G

-

N

-

E

-

N

-

Y

E

E

M

Y

T

L

L

V

N

N

S

M

I

I

N

N

E

E

M

Y

L

C

L

K

A

S

R

K

A

-

G

-

R

N

C

I

E

E

L

V

E

E

F

C

F

Y

Q

Q

S

S

N

N

H

H

E

E

G

G

D

A

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

-

A

-

Y

-

F

T

N

D

G

A

T

D

D

G

G

M

I

I

V

I

I

N
|
N

A

P

G

G

A
|
A

F

Y

T

T

H

H

T

Y

S

S

I

Y

A

A

I

I

R

R

D

D

A

A

L

L

L

A

A

S

V

V

S

S

K

H

-

I

E

K

F

K

I

I

E
|
E

V

V

H
|
H

I

I

S

S

N

N

V

V

F
x
N

A

E

R
|
R

E

E

D

E

F

F

R

R

H

H

K

I

S

S

Y

V

L

T

S

E

D

P

I

V

S

C

K

N

G

G

V
x
Q

I

I

S

V

G

G

F

Q

G

G

A

L

M

K

S

G

Y

Y

A

I

F

M

A

A

L

I

D

D

active site: P12 (= P9), N13 (= N10), R20 (= R17), Y25 (= Y22), N77 (= N70), A80 (= A73), E102 (= E94), H104 (= H96), R111 (= R103)
binding serine: N109 (≠ F101), Q127 (≠ V119)

6hs9A The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
51% identity, 95% coverage: 1:133/140 of query aligns to 4:141/145 of 6hs9A

query
sites
6hs9A

M

M

E

K

I

I

L

L

I

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

N

N

M

F

L

L

G

G

K

I

R
|
R

E

E

K

K

S

N

I

I

Y
|
Y

G

G

-

N

-

E

-

N

-

Y

E

E

M

Y

T

L

L

V

N

N

S

M

I

I

N

N

E

E

M

Y

L

C

L

K

A

S

R

K

A

-

G

-

R

N

C

I

E

E

L

V

E

E

F

C

F

Y

Q

Q

S

S

N

N

H

H

E

E

G

G

D

A

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

-

A

-

Y

-

F

T

N

D

G

A

T

D

D

G

G

M

I

I

V

I

I

N
|
N

A

P

G
|
G

A
|
A

F

Y

T

T

H
|
H

T

Y

S

S

I

Y

A

A

I

I

R

R

D

D

A

A

L

L

L

A

A

S

V

V

S

S

K

H

-

I

E

K

F

K

I

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

V

F

N

A

E

R
|
R

E

E

D

E

F

F

R
|
R

H

H

K

I

S

S

Y

V

L

T

S

E

D

P

I

V

S

C

K

N

G

G

V

Q

I

I

S

V

G

G

F

Q

G

G

A

L

M

K

S

G

Y

Y

A

I

F

M

A

A

L

I

D

D

active site: P12 (= P9), N13 (= N10), R20 (= R17), Y25 (= Y22), N77 (= N70), A80 (= A73), E102 (= E94), H104 (= H96), R111 (= R103)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R20 (= R17), Y25 (= Y22), G79 (= G72), A80 (= A73), H83 (= H76), I105 (= I97), S106 (= S98), R115 (= R107)

2c57A H.Pylori type ii dehydroquinase in complex with fa1 (see paper)
49% identity, 94% coverage: 1:132/140 of query aligns to 14:144/164 of 2c57A

query
sites
2c57A

M

M

E

K

I

I

L

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

M

M

L

L

G

G

K

-

R

-

E

-

K

-

S

-

I

-

Y

-

G

G

E

M

M

V

T

T

L

L

N

D

S

Q

I

I

N

H

E

E

M

I

L

M

-

Q

-

T

-

F

L

V

A

K

R

Q

A

G

G

N

G

L

R

D

C

V

E

E

L

L

E

E

F

F

Q

Q

S

T

N

N

H

F

E

E

G

G

D

E

I

I

V

I

G

D

M

K

I

I

Q

Q

R

E

T

S

-

V

-

G

-

S

D

D

A

Y

D

E

G

G

M

I

I

I

N
|
N

A

P

G
|
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

I

I

A

A

I

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

K

K

E

P

F

V

I

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

V

I

F

Q

A

A

R
|
R

E

E

D

E

F

F

R
|
R

H

K

K

N

S

S

Y

Y

L

T

S

G

D

A

I

A

S

C

K

G

G

G

V

V

I

I

S

M

G

G

F

F

G

G

A

P

M

L

S

G

Y

Y

A

N

F

M

A

A

L

L

active site: P22 (= P9), N23 (= N10), N82 (= N70), A85 (= A73), E106 (= E94), H108 (= H96), R115 (= R103)
binding 2,3 -anhydro-quinic acid: N82 (= N70), G84 (= G72), A85 (= A73), H88 (= H76), H108 (= H96), L109 (≠ I97), T110 (≠ S98), R119 (= R107)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
44% identity, 94% coverage: 2:133/140 of query aligns to 8:143/150 of 1v1jA

query
sites
1v1jA

E

P

I

I

L

M

I

I

I

L

N

N

G

G

P
|
P

N
|
N

L

L

N

N

M

L

L

L

G

G

K

Q

R
|
R

E

Q

K

P

S

E

I

I

Y
|
Y

G

G

E

S

M

D

T

T

L

L

N

A

S

D

I

V

N

E

E

A

M

L

L

C

L

V

A

K

R

A

A

A

-

A

-

H

G

G

R

-

C

-

E

T

L

V

E

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

V

G

D

M

W

I

I

Q

H

-

E

-

A

R

R

T

L

D

N

A

H

D

C

G

G

M

I

I

V

I

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

L

L

L

N

A

T

V

C

S

D

K

G

-

L

E

P

F

V

I

V

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

I

F

H

A

Q

R
|
R

E

E

D

P

F

F

R
|
R

H

H

K

H

S

S

Y

Y

L

V

S

S

D

Q

I

R

S

A

K

D

G

G

V

V

I

V

S

A

G

G

F

C

G

G

A

V

M

Q

S

G

Y

Y

A

V

F

F

A

G

L

V

D

E

active site: P15 (= P9), N16 (= N10), R23 (= R17), Y28 (= Y22), N79 (= N70), A82 (= A73), E104 (= E94), H106 (= H96), R113 (= R103)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y22), N79 (= N70), A81 (≠ G72), A82 (= A73), H85 (= H76), H106 (= H96), I107 (= I97), S108 (= S98), R117 (= R107)

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, 94% coverage: 2:133/140 of query aligns to 9:144/157 of P15474

query
sites
P15474

E

P

I

I

L

M

I

I

I

L

N

N

G

G

P

P

N

N

L

L

N

N

M

L

L

L

G

G

K

Q

R
|
R

E

Q

K

P

S

E

I

I

Y

Y

G

G

E

S

M

D

T

T

L

L

N

A

S

D

I

V

N

E

E

A

M

L

L

C

L

V

A

K

R

A

A

A

-

A

-

H

G

G

R

-

C

-

E

T

L

V

E

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

V

G

D

M

W

I

I

Q

H

-

E

-

A

R

R

T

L

D

N

A

H

D

C

G

G

M

I

I

V

I

I

N

N

A

P

G

A

A

A

F

Y

T

S

H

H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

L

L

L

N

A

T

V

C

S

D

K

G

-

L

E

P

F

V

I

V

E

E

V

V

H

H

I

I

S

S

N

N

V

I

F

H

A

Q

R

R

E

E

D

P

F

F

R

R

H

H

K

H

S

S

Y

Y

L

V

S

S

D

Q

I

R

S

A

K

D

G

G

V

V

I

V

S

A

G

G

F

C

G

G

A

V

M

Q

S

G

Y

Y

A

V

F

F

A

G

L

V

D

E

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)
44% identity, 94% coverage: 2:133/140 of query aligns to 7:142/149 of 2cjfA

query
sites
2cjfA

E

P

I

I

L

M

I

I

I

L

N

N

G

G

P

P

N
|
N

L
|
L

N

N

M
x
L

L
|
L

G

G

K

Q

R
|
R

E

Q

K

P

S

E

I

I

Y
|
Y

G

G

E

S

M

D

T

T

L

L

N

A

S

D

I

V

N

E

E

A

M

L

L

C

L

V

A

K

R

A

A

A

-

A

-

H

G

G

R

-

C

-

E

T

L

V

E

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

V

G

D

M

W

I

I

Q

H

-

E

-

A

R

R

T

L

D

N

A

H

D

C

G

G

M

I

I

V

I

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

L

L

L

N

A

T

V

C

S

D

K

G

-

L

E

P

F

V

I

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

I

F

H

A

Q

R

R

E

E

D

P

F

F

R
|
R

H

H

K

H

S

S

Y

Y

L

V

S

S

D

Q

I

R

S

A

K

D

G

G

V

V

I

V

S

A

G

G

F

C

G

G

A

V

M

Q

S

G

Y

Y

A

V

F

F

A

G

L

V

D

E

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 (= N70), A80 (≠ G72), A81 (= A73), H84 (= H76), H105 (= H96), I106 (= I97), S107 (= S98), R116 (= R107)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
44% identity, 94% coverage: 2:133/140 of query aligns to 7:142/149 of 2bt4A

query
sites
2bt4A

E

P

I

I

L

M

I

I

I

L

N

N

G

G

P

P

N
|
N

L

L

N

N

M
x
L

L

L

G

G

K

Q

R
|
R

E

Q

K

P

S

E

I

I

Y
|
Y

G

G

E

S

M

D

T

T

L

L

N

A

S

D

I

V

N

E

E

A

M

L

L

C

L

V

A

K

R

A

A

A

-

A

-

H

G

G

R

-

C

-

E

T

L

V

E

D

F

F

F

R

Q

Q

S

S

N

N

H

H

E

E

G

G

D

E

I

L

V

V

G

D

M

W

I

I

Q

H

-

E

-

A

R

R

T

L

D

N

A

H

D

C

G

G

M

I

I

V

I

I

N
|
N

A

P

G
x
A

A
|
A

F

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

I

I

R

L

D

D

A

A

L

L

L

N

A

T

V

C

S

D

K

G

-

L

E

P

F

V

I

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

V

I

F

H

A

Q

R

R

E

E

D

P

F

F

R
|
R

H

H

K

H

S

S

Y

Y

L

V

S

S

D

Q

I

R

S

A

K

D

G

G

V

V

I

V

S

A

G

G

F

C

G

G

A

V

M

Q

S

G

Y

Y

A

V

F

F

A

G

L

V

D

E

binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N10), L18 (≠ M13), R22 (= R17), Y27 (= Y22), N78 (= N70), A80 (≠ G72), A81 (= A73), H84 (= H76), H105 (= H96), I106 (= I97), S107 (= S98), R116 (= R107)

Query Sequence

>WP_013009416.1 NCBI__GCF_000025725.1:WP_013009416.1
MEILIINGPNLNMLGKREKSIYGEMTLNSINEMLLARAGGRCELEFFQSNHEGDIVGMIQ
RTDADGMIINAGAFTHTSIAIRDALLAVSKEFIEVHISNVFAREDFRHKSYLSDISKGVI
SGFGAMSYAFALDYFLEQKK

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