SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_0560 FitnessBrowser__Putida:PP_0560 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
65% identity, 95% coverage: 2:144/151 of query aligns to 1:143/145 of 5ydbA

query
sites
5ydbA

A

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T

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H

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G

P
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P

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active site: P9 (= P10), 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 (= A77), A77 (= A78), H80 (= H81), H100 (= H101), L101 (= L102), S102 (= S103), R111 (= R112)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
65% identity, 95% coverage: 2:144/151 of query aligns to 1:143/145 of 5b6pB

query
sites
5b6pB

A

S

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T

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L

L

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V

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I

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H

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G

P
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P

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N

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R

E

E

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L

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N74 (= N75), A77 (= A78), E98 (= E99), H100 (= H101), R107 (= R108)
binding sulfate ion: N74 (= N75), H100 (= H101), L101 (= L102), S102 (= S103)

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)
51% identity, 91% coverage: 2:138/151 of query aligns to 8:144/157 of P15474

query
sites
P15474

A

A

T

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I

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L

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G

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P

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E

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P

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Y

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A

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R24 (= R18) 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)
51% identity, 91% coverage: 2:138/151 of query aligns to 6:142/149 of 2cjfA

query
sites
2cjfA

A

A

T

P

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G

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L
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N

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L

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binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N11), L16 (= L12), L18 (= L14), L19 (= L15), R22 (= R18), Y27 (= Y23), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
51% identity, 91% coverage: 2:138/151 of query aligns to 6:142/149 of 2bt4A

query
sites
2bt4A

A

A

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P

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L

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binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N11), L18 (= L14), R22 (= R18), Y27 (= Y23), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
51% identity, 91% coverage: 2:138/151 of query aligns to 7:143/150 of 1v1jA

query
sites
1v1jA

A

A

T

P

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I

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L

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G

P
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P

N
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N

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R

E

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H

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Y

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L

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N

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A

A

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A

A

A

A

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A

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H

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A

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D

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N

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K

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R

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E

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F

R
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R

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H

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Y

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E

active site: P15 (= P10), N16 (= N11), R23 (= R18), Y28 (= Y23), N79 (= N75), A82 (= A78), E104 (= E99), H106 (= H101), R113 (= R108)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y23), N79 (= N75), A81 (= A77), A82 (= A78), H85 (= H81), H106 (= H101), I107 (≠ L102), S108 (= S103), R117 (= R112)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
51% identity, 91% coverage: 2:138/151 of query aligns to 6:142/149 of 1gu1A

query
sites
1gu1A

A

A

T

P

L

I

L

M

V

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L

H

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G

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P

N
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L
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L

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L

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R

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H

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Y

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G

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A

A

A

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D

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A

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N

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H

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A

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E

active site: P14 (= P10), N15 (= N11), R22 (= R18), Y27 (= Y23), N78 (= N75), A81 (= A78), E103 (= E99), H105 (= H101), R112 (= R108)
binding 2,3 -anhydro-quinic acid: Y27 (= Y23), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
binding glycerol: N15 (= N11), L16 (= L12), L19 (= L15), Y27 (= Y23)

1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
50% identity, 91% coverage: 2:138/151 of query aligns to 6:142/149 of 1gtzA

query
sites
1gtzA

A

A

T

P

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L

M

V

I

L

L

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N

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G

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N

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x
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G

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L

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N

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R

A

A

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A

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A

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G

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S

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E

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L

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H

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A

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H

L
x
I

S
|
S

N

N

V

I

H

H

K

Q

R
|
R

E

E

P

P

F

F

R
|
R

H

H

S

S

Y

Y

F

V

S

S

D

Q

V

R

A

A

V

D

G

G

V

V

I

V

C

A

G

G

L

C

G

G

A

V

S

Q

G

G

Y

Y

R

V

L

F

A

G

L

V

E

E

active site: P14 (= P10), N15 (= N11), A22 (≠ R18), Y27 (= Y23), N78 (= N75), A81 (= A78), E103 (= E99), H105 (= H101), R112 (= R108)
binding 3-dehydroshikimate: Y27 (= Y23), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
51% identity, 89% coverage: 4:138/151 of query aligns to 4:137/147 of 8idrC

query
sites
8idrC

L

I

L

L

V

L

L

L

H

N

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

T

K

R

R

E

E

P

P

G

D

H

I

Y

Y

G

G

A

H

V

D

T

T

L

L

A

E

Q

D

I

V

N

V

Q

A

D

L

L

A

E

T

Q

A

R

E

A

A

R

A

A

K

A

H

G

G

H

L

H

E

L

V

L

E

Y

A

L

L

Q

Q

S

S

N

N

A

H

E

E

Y

G

E

E

L

L

I

I

D

D

R

A

I

L

H

H

A

N

A

A

R

R

N

G

E

T

G

H

V

I

D

G

F

C

I

V

L

-

I

I

N
|
N

P

P

A
x
G

A

G

F

L

T

T

H

H

T

T

S

S

V

V

A

A

L

L

R

L

D

D

A

A

L

V

L

K

A

A

V

S

S

E

I

L

P

P

F

T

I

V

E

E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

P

H

H

K

A

R

R

E

E

P

E

F

F

R

R

H

H

S

S

Y

Y

F

I

S

S

D

L

V

A

A

A

V

V

G

S

V

V

I

I

C

A

G

G

L

A

G

G

A

I

S

Q

G

G

Y

Y

R

R

L

F

A

A

L

V

E

D

binding citrate anion: N74 (= N75), G76 (≠ A77), H100 (= H101), I101 (≠ L102), S102 (= S103)

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/157 of 4b6rA

query
sites
4b6rA

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A
x
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D
|
D

A

A

L

I

L

M

A
x
L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y23), N76 (= N75), G78 (≠ A77), A79 (= A78), H82 (= H81), D89 (= D88), L93 (≠ A92), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

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)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/167 of Q48255

query
sites
Q48255

L

I

L

L

V

V

L

I

H

Q

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

T

H

R

R

E

D

P

P

G

R

H

L

Y

Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A

G

A

A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D
|
D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E

E

V

V

H

H

L

L

S

T

N

N

V

I

H

Q

K

A

R

R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

N76 (= N75) binding
H82 (= H81) binding
D89 (= D88) binding
R113 (= R112) binding

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)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/150 of 2xdaA

query
sites
2xdaA

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

L
x
M

L

L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A

G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), 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 (= L12), M13 (≠ L14), Y22 (= Y23), N76 (= N75), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/158 of 4b6sA

query
sites
4b6sA

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L
|
L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A
x
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= 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 (= L15), Y22 (= Y23), N76 (= N75), G78 (≠ A77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/158 of 2xb9A

query
sites
2xb9A

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A

G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N11), Y22 (= Y23), N76 (= N75), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/158 of 1j2yA

query
sites
1j2yA

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A
x
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y23), N76 (= N75), G78 (≠ A77), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

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)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/153 of 2xd9A

query
sites
2xd9A

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L
|
L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A
x
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
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 (= N11), L14 (= L15), Y22 (= Y23), N76 (= N75), G78 (≠ A77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
43% identity, 94% coverage: 4:145/151 of query aligns to 3:146/153 of 2wksA

query
sites
2wksA

L

I

L

L

V

V

L

I

H

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

L

M

L

L

G

G

T

H

R
|
R

E

D

P

P

G

R

H

L

Y
|
Y

G

G

A

M

V

V

T

T

L

L

A

D

Q

Q

I

I

N

H

Q

E

D

I

L

M

E

Q

Q

T

R

F

A

V

R

K

A

Q

A

G

G

N

H

L

-

D

-

V

H

E

L

L

L

E

Y

F

L

F

Q

Q

S

T

N

N

A

F

E

E

Y

G

E

E

L

I

I

I

D

D

R

K

I

I

H

Q

A

E

A

S

R

V

N

G

E

S

G

D

V

Y

D

E

F

G

I

I

L

I

I

I

N
|
N

P

P

A
x
G

A
|
A

F

F

T

S

H
|
H

T

T

S

S

V

I

A

A

L

I

R

A

D

D

A

A

L

I

L

M

A

L

V

A

S

G

I

K

P

P

F

V

I

I

E
|
E

V

V

H
|
H

L
|
L

S
x
T

N

N

V

I

H

Q

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

K

H

N

S

S

Y

Y

F

T

S

G

D

A

V

A

A

C

V

G

G

G

V

V

I

I

C

M

G

G

L

F

G

G

A

P

S

L

G

G

Y

Y

R

N

L

M

A

A

L

L

E

M

S

A

A

M

L

V

E

N

Q

I

L

L

A

A

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (= L12), Y22 (= Y23), N76 (= N75), G78 (≠ A77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)

4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
49% identity, 87% coverage: 6:137/151 of query aligns to 5:135/140 of 4cl0A

query
sites
4cl0A

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L

R

L

L

G

G

T

R

R
|
R

E

E

P

P

G

A

H

V

Y
|
Y

G

G

A

G

V

T

T

T

L

H

A

D

Q

E

I

L

N

V

Q

A

D

L

L

I

E

E

Q

R

R

E

A

A

R

A

A

E

A

L

G

G

H

L

H

K

L

A

L

V

Y

V

L

R

Q

Q

S

S

N

D

A

S

E

E

Y

A

E

Q

L

L

I

L

D

D

R

W

I

I

H

H

A

Q

A

A

R

A

N

D

E

-

G

A

V

A

D

E

F

P

I

V

L

I

I

L

N
|
N

P

A

A
x
G

F

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

L

A

A

E

V

L

S

S

I

A

P

P

F

L

I

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

V

H

H

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

F

L

S

S

D

P

V

I

A

A

V

T

G

G

V

V

I

I

C

V

G

G

L

L

G

G

A

I

S

Q

G

G

Y

Y

R

L

L

L

A

A

L

L

active site: P9 (= P10), 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 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)

3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
49% identity, 87% coverage: 6:137/151 of query aligns to 6:136/143 of 3n76A

query
sites
3n76A

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L
x
R

L

L

G

G

T

R

R
|
R

E

E

P

P

G

A

H

V

Y
|
Y

G

G

A

G

V

T

T

T

L

H

A

D

Q

E

I

L

N

V

Q

A

D

L

L

I

E

E

Q

R

R

E

A

A

R

A

A

E

A

L

G

G

H

L

H

K

L

A

L

V

Y

V

L

R

Q

Q

S

S

N

D

A

S

E

E

Y

A

E

Q

L

L

I

L

D

D

R

W

I

I

H

H

A

Q

A

A

R

A

N

D

E

-

G

A

V

A

D

E

F

P

I

V

L

I

I

L

N
|
N

P

A

A
x
G

F

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

L

A

A

E

V

L

S

S

I

A

P

P

F

L

I

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

V

H

H

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

F

L

S

S

D

P

V

I

A

A

V

T

G

G

V

V

I

I

C

V

G

G

L

L

G

G

A

I

S

Q

G

G

Y

Y

R

L

L

L

A

A

L

L

active site: P10 (= P10), 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 (≠ L14), R18 (= R18), Y23 (= Y23), N74 (= N75), G76 (≠ A77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)

4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
49% identity, 87% coverage: 6:137/151 of query aligns to 6:136/142 of 4b6oA

query
sites
4b6oA

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L

R

L

L

G

G

T

R

R
|
R

E

E

P

P

G

A

H

V

Y
|
Y

G

G

A

G

V

T

T

T

L

H

A

D

Q

E

I

L

N

V

Q

A

D

L

L

I

E

E

Q

R

R

E

A

A

R

A

A

E

A

L

G

G

H

L

H

K

L

A

L

V

Y

V

L

R

Q

Q

S

S

N

D

A

S

E

E

Y

A

E

Q

L

L

I

L

D

D

R

W

I

I

H

H

A

Q

A

A

R

A

N

D

E

-

G

A

V

A

D

E

F

P

I

V

L

I

I

L

N
|
N

P

A

A
x
G

F

L

T

T

H
|
H

T

T

S

S

V

V

A

A

L

L

R

R

D

D

A

A

L

C

L

A

A

E

V

L

S

S

I

A

P

P

F

L

I

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

V

V

H

H

K

A

R
|
R

E

E

P

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

F

L

S

S

D

P

V

I

A

A

V

T

G

G

V

V

I

I

C

V

G

G

L

L

G

G

A

I

S

Q

G

G

Y

Y

R

L

L

L

A

A

L

L

active site: P10 (= P10), 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 (≠ A77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)

Query Sequence

>PP_0560 FitnessBrowser__Putida:PP_0560
MATLLVLHGPNLNLLGTREPGHYGAVTLAQINQDLEQRARAAGHHLLYLQSNAEYELIDR
IHAARNEGVDFILINPAAFTHTSVALRDALLAVSIPFIEVHLSNVHKREPFRHHSYFSDV
AVGVICGLGASGYRLALESALEQLAANAQPK

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