SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_29 FitnessBrowser__acidovorax_3H11:Ac3H11_29 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)

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)
52% identity, 94% coverage: 3:150/158 of query aligns to 6:149/157 of P15474

query
sites
P15474

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P

P

N

N

L

L

N

N

L

L

G

G

T

Q

R
|
R

E

Q

P

P

A

E

V

I

Y

Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N

N

A

P

G

A

A

A

Y

Y

T

S

H

H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E

E

L

V

H

H

I

I

S

S

N

N

V

I

H

H

A

Q

R

R

E

E

A

P

Y

F

R

R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

R24 (= R21) 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)
52% identity, 94% coverage: 3:150/158 of query aligns to 4:147/149 of 2cjfA

query
sites
2cjfA

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P

P

N
|
N

L
|
L

N

N

L
|
L

G

G

T

Q

R
|
R

E

Q

P

P

A

E

V

I

Y
|
Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E

E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

I

H

H

A

Q

R

R

E

E

A

P

Y

F

R
|
R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N14), L16 (= L15), L18 (= L17), L19 (= L18), R22 (= R21), Y27 (= Y26), N78 (= N82), A80 (≠ G84), A81 (= A85), H84 (= H88), H105 (= H108), I106 (= I109), S107 (= S110), R116 (= R119)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
52% identity, 94% coverage: 3:150/158 of query aligns to 4:147/149 of 2bt4A

query
sites
2bt4A

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P

P

N
|
N

L

L

N

N

L
|
L

L

L

G

G

T

Q

R
|
R

E

Q

P

P

A

E

V

I

Y
|
Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E

E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

I

H

H

A

Q

R

R

E

E

A

P

Y

F

R
|
R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N14), L18 (= L17), R22 (= R21), Y27 (= Y26), N78 (= N82), A80 (≠ G84), A81 (= A85), H84 (= H88), H105 (= H108), I106 (= I109), S107 (= S110), R116 (= R119)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
52% identity, 94% coverage: 3:150/158 of query aligns to 5:148/150 of 1v1jA

query
sites
1v1jA

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

T

Q

R
|
R

E

Q

P

P

A

E

V

I

Y
|
Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E
|
E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

I

H

H

A

Q

R
|
R

E

E

A

P

Y

F

R
|
R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

active site: P15 (= P13), N16 (= N14), R23 (= R21), Y28 (= Y26), N79 (= N82), A82 (= A85), E104 (= E106), H106 (= H108), R113 (= R115)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y26), N79 (= N82), A81 (≠ G84), A82 (= A85), H85 (= H88), H106 (= H108), I107 (= I109), S108 (= S110), R117 (= R119)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
52% identity, 94% coverage: 3:150/158 of query aligns to 4:147/149 of 1gu1A

query
sites
1gu1A

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P
|
P

N
|
N

L
|
L

N

N

L

L

L
|
L

G

G

T

Q

R
|
R

E

Q

P

P

A

E

V

I

Y
|
Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E
|
E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

I

H

H

A

Q

R
|
R

E

E

A

P

Y

F

R
|
R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

active site: P14 (= P13), N15 (= N14), R22 (= R21), Y27 (= Y26), N78 (= N82), A81 (= A85), E103 (= E106), H105 (= H108), R112 (= R115)
binding 2,3 -anhydro-quinic acid: Y27 (= Y26), N78 (= N82), A80 (≠ G84), A81 (= A85), H84 (= H88), H105 (= H108), I106 (= I109), S107 (= S110), R116 (= R119)
binding glycerol: N15 (= N14), L16 (= L15), L19 (= L18), Y27 (= Y26)

1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
51% identity, 94% coverage: 3:150/158 of query aligns to 4:147/149 of 1gtzA

query
sites
1gtzA

A

A

H

N

K

A

T

P

V

I

F

M

V

I

L

L

N

N

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

T

Q

R
x
A

E

Q

P

P

A

E

V

I

Y
|
Y

G

G

A

S

Q

D

T

T

L

L

A

A

D

D

V

V

E

E

K

A

L

L

C

C

A

V

E

K

A

A

C

A

Q

A

R

A

H

H

G

G

Y

G

A

T

L

V

R

D

F

F

H

R

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

V

D

D

W

W

I

I

H

H

E

E

A

A

G

R

R

L

L

N

H

H

A

-

G

-

E

-

L

-

A

C

G

G

V

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

I

V

A

A

L

I

H

L

D

D

A

A

I

L

K

N

G

T

-

C

T

D

G

G

I

L

T

P

L

V

I

V

E
|
E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

I

H

H

A

Q

R
|
R

E

E

A

P

Y

F

R
|
R

H

H

S

S

Y

Y

M

V

A

S

A

Q

A

R

A

A

K

D

A

G

V

V

M

V

C

A

G

G

F

C

G

G

V

V

L

Q

G

G

Y

Y

G

V

L

F

A

G

I

V

D

E

G

R

L

I

A

A

Q

A

L

L

active site: P14 (= P13), N15 (= N14), A22 (≠ R21), Y27 (= Y26), N78 (= N82), A81 (= A85), E103 (= E106), H105 (= H108), R112 (= R115)
binding 3-dehydroshikimate: Y27 (= Y26), A80 (≠ G84), A81 (= A85), H84 (= H88), H105 (= H108), I106 (= I109), S107 (= S110), R116 (= R119)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
50% identity, 91% coverage: 7:150/158 of query aligns to 4:142/147 of 8idrC

query
sites
8idrC

V

I

F

L

V

L

L

L

N

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

A

D

V

I

Y

Y

G

G

A

H

Q

D

T

T

L

L

A

E

D

D

V

V

E

V

K

A

L

L

C

A

A

T

E

A

A

E

C

A

Q

A

R

K

H

H

G

G

Y

L

A

E

L

V

R

E

F

A

H

L

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

I

D

D

W

A

I

L

H

H

E

N

A

A

G

R

R

G

L

T

H

H

A

I

A

-

G

-

E

-

L

-

A

-

G

G

V

C

V

V

I

I

N
|
N

A

P

G
|
G

A

G

Y

L

T

T

H

H

T

T

S

S

I

V

A

A

L

L

H

L

D

D

A

A

I

V

K

K

G

A

T

S

G

E

I

L

T

P

L

T

I

V

E

E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

P

H

H

A

A

R

R

E

E

A

E

Y

F

R

R

H

H

S

S

Y

Y

M

I

A

S

A

L

A

A

K

V

A

S

V

V

M

I

C

A

G

G

F

A

G

G

V

I

L

Q

G

G

Y

Y

G

R

L

F

A

A

I

V

D

D

G

I

L

L

A

A

Q

N

L

L

binding citrate anion: N74 (= N82), G76 (= G84), H100 (= H108), I101 (= I109), S102 (= S110)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
49% identity, 91% coverage: 7:150/158 of query aligns to 4:142/145 of 8iduA

query
sites
8iduA

V

I

F

L

V

L

L

L

N

N

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

T

K

R

A

E

E

P

P

A

D

V

I

Y
|
Y

G

G

A

H

Q

D

T

T

L

L

A

E

D

D

V

V

E

V

K

A

L

L

C

A

A

T

E

A

A

E

C

A

Q

A

R

K

H

H

G

G

Y

L

A

E

L

V

R

E

F

A

H

L

Q

Q

S

S

N

N

H

H

E

E

G

G

A

E

L

L

V

I

D

D

W

A

I

L

H

H

E

N

A

A

G

R

R

G

L

T

H

H

A

I

A

-

G

-

E

-

L

-

A

-

G

G

V

C

V

V

I

I

N
|
N

A

P

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

I

V

A

A

L

L

H

L

D

D

A

A

I

V

K

K

G

A

T

S

G

E

I

L

T

P

L

T

I

V

E

E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

P

H

H

A

A

R

R

E

E

A

E

Y

F

R
|
R

H

H

S

S

Y

Y

M

I

A

S

A

L

A

A

K

V

A

S

V

V

M

I

C

A

G

G

F

A

G

G

V

I

L

Q

G

G

Y

Y

G

R

L

F

A

A

I

V

D

D

G

I

L

L

A

A

Q

N

L

L

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y26), N74 (= N82), G76 (= G84), G77 (≠ A85), H80 (= H88), H100 (= H108), I101 (= I109), S102 (= S110), R111 (= R119)

5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
48% identity, 89% coverage: 5:145/158 of query aligns to 1:137/145 of 5ydbA

query
sites
5ydbA

K

S

T

T

V

I

F

L

V

V

L

I

N

H

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

T

K

R
|
R

E

E

P

P

A

E

V

V

Y
|
Y

G

G

A

H

Q

L

T

T

L

L

A

D

D

N

V

I

E

N

K

R

L

Q

C

L

A

I

E

A

A

Q

C

A

Q

E

R

Q

H

A

G

S

Y

I

A

T

L

L

R

D

F

T

H

F

Q

Q

S

S

N

N

H

W

E

E

G

G

A

A

L

I

V

V

D

D

W

R

I

I

H

H

E

Q

A

A

G

-

R

-

L

-

H

-

A

Q

A

T

G

E

E

G

L

V

A

K

G

L

V

I

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

L

T

T

H
|
H

T

T

S

S

I

V

A

A

L

L

H

R

D

D

A

A

I

L

K

L

G

G

T

V

G

A

I

I

T

P

L

F

I

I

E
|
E

L

V

H
|
H

I
x
L

S
|
S

N

N

V

V

H

H

A

A

R
|
R

E

E

A

A

Y

F

R
|
R

H

H

S

S

Y

Y

M

L

A

S

A

D

A

K

A

A

K

I

A

G

V

V

M

I

C

C

G

G

F

L

G

G

V

A

L

K

G

G

Y

Y

G

S

L

F

A

A

I

L

D

D

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N74 (= N82), A77 (= A85), E98 (= E106), H100 (= H108), R107 (= R115)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N82), A76 (≠ G84), A77 (= A85), H80 (= H88), H100 (= H108), L101 (≠ I109), S102 (= S110), R111 (= R119)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
48% identity, 89% coverage: 5:145/158 of query aligns to 1:137/145 of 5b6pB

query
sites
5b6pB

K

S

T

T

V

I

F

L

V

V

L

I

N

H

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

T

K

R
|
R

E

E

P

P

A

E

V

V

Y
|
Y

G

G

A

H

Q

L

T

T

L

L

A

D

D

N

V

I

E

N

K

R

L

Q

C

L

A

I

E

A

A

Q

C

A

Q

E

R

Q

H

A

G

S

Y

I

A

T

L

L

R

D

F

T

H

F

Q

Q

S

S

N

N

H

W

E

E

G

G

A

A

L

I

V

V

D

D

W

R

I

I

H

H

E

Q

A

A

G

-

R

-

L

-

H

-

A

Q

A

T

G

E

E

G

L

V

A

K

G

L

V

I

I

I

N
|
N

A

P

G

A

A
|
A

Y

L

T

T

H

H

T

T

S

S

I

V

A

A

L

L

H

R

D

D

A

A

I

L

K

L

G

G

T

V

G

A

I

I

T

P

L

F

I

I

E
|
E

L

V

H
|
H

I
x
L

S
|
S

N

N

V

V

H

H

A

A

R
|
R

E

E

A

A

Y

F

R

R

H

H

S

S

Y

Y

M

L

A

S

A

D

A

K

A

A

K

I

A

G

V

V

M

I

C

C

G

G

F

L

G

G

V

A

L

K

G

G

Y

Y

G

S

L

F

A

A

I

L

D

D

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N74 (= N82), A77 (= A85), E98 (= E106), H100 (= H108), R107 (= R115)
binding sulfate ion: N74 (= N82), H100 (= H108), L101 (≠ I109), S102 (= S110)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
39% identity, 97% coverage: 3:155/158 of query aligns to 8:158/168 of 2c4wA

query
sites
2c4wA

A

S

H

H

K

M

T

K

V

I

F

L

V

V

L

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

L

M

L
|
L

G

G

T

H

R
|
R

E
x
D

P

P

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

E

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V
x
I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P18 (= P13), N19 (= N14), R26 (= R21), Y31 (= Y26), N85 (= N82), A88 (= A85), E109 (= E106), H111 (= H108), R118 (= R115)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L15), L23 (= L18), D27 (≠ E22), G87 (= G84), H91 (= H88), H111 (= H108), L112 (≠ I109), T113 (≠ S110), I115 (≠ V112), R122 (= R119)

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)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/150 of 2xdaA

query
sites
2xdaA

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G

G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N14), L11 (= L15), M13 (≠ L17), Y22 (= Y26), N76 (= N82), A79 (= A85), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/157 of 4b6rA

query
sites
4b6rA

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D
|
D

A

A

I

I

K

M

G
x
L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y26), N76 (= N82), G78 (= G84), A79 (= A85), H82 (= H88), D89 (= D95), L93 (≠ G99), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

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)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/153 of 2xd9A

query
sites
2xd9A

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
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 (= N14), L14 (= L18), Y22 (= Y26), N76 (= N82), G78 (= G84), A79 (= A85), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/153 of 2wksA

query
sites
2wksA

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (= L15), Y22 (= Y26), N76 (= N82), G78 (= G84), A79 (= A85), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/158 of 4b6sA

query
sites
4b6sA

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N14), L14 (= L18), Y22 (= Y26), N76 (= N82), G78 (= G84), A79 (= A85), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/158 of 2xb9A

query
sites
2xb9A

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G

G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N14), Y22 (= Y26), N76 (= N82), A79 (= A85), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/158 of 1j2yA

query
sites
1j2yA

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y
|
Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G
|
G

A
|
A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D

D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E
|
E

L

V

H
|
H

I
x
L

S
x
T

N

N

V

I

H

Q

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N76 (= N82), A79 (= A85), E100 (= E106), H102 (= H108), R109 (= R115)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y26), N76 (= N82), G78 (= G84), H82 (= H88), H102 (= H108), L103 (≠ I109), T104 (≠ S110), R113 (= R119)

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)
39% identity, 94% coverage: 7:155/158 of query aligns to 3:149/167 of Q48255

query
sites
Q48255

V

I

F

L

V

V

L

I

N

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

A

R

V

L

Y

Y

G

G

A

M

Q

V

T

T

L

L

A

D

D

Q

V

I

E

H

K

E

L

I

C

M

A

Q

E

T

A

F

C

V

Q

K

R

Q

H

G

G

N

Y

L

-

D

-

V

A

E

L

L

R

E

F

F

H

F

Q

Q

S

T

N

N

H

F

E

E

G

G

A

E

L

I

V

I

D

D

W

K

I

I

H

Q

E

E

A

S

G

-

R

-

L

-

H

-

A

V

A

G

G

S

E

D

L

Y

A

E

G

G

V

I

I

I

N
|
N

A

P

G

G

A

A

Y

F

T

S

H
|
H

T

T

S

S

I

I

A

A

L

I

H

A

D
|
D

A

A

I

I

K

M

G

L

T

A

G

G

I

K

T

P

L

V

I

I

E

E

L

V

H

H

I

L

S

T

N

N

V

I

H

Q

A

A

R

R

E

E

A

E

Y

F

R
|
R

H

K

H

N

S

S

Y

Y

M

T

A

G

A

A

A

C

K

G

A

G

V

V

M

I

C

M

G

G

F

F

G

G

V

P

L

L

G

G

Y

Y

G

N

L

M

A

A

I

L

D

M

G

A

L

M

A

V

Q

N

L

I

L

L

A

A

Q

E

Q

M

Q

K

N76 (= N82) binding
H82 (= H88) binding
D89 (= D95) binding
R113 (= R119) binding

4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
47% identity, 91% coverage: 7:149/158 of query aligns to 3:140/140 of 4cl0A

query
sites
4cl0A

V

V

F

N

V

V

L

I

N

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

A

A

V

V

Y
|
Y

G

G

A

G

Q

T

T

T

L

H

A

D

D

E

V

L

E

V

K

A

L

L

C

I

A

E

E

R

A

E

C

A

Q

A

R

E

H

L

G

G

Y

L

A

K

L

A

R

V

F

V

H

R

Q

Q

S

S

N

D

H

S

E

E

G

A

A

Q

L

L

V

L

D

D

W

W

I

I

H

H

E

Q

A

A

G

-

R

-

L

-

H

-

A

-

A

A

G

D

E

A

L

A

A

E

G

P

V

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

I

V

A

A

L

L

H

R

D

D

A

A

I

C

K

A

G

E

T

L

G

S

I

A

T

P

L

L

I

I

E
|
E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

V

H

H

A

A

R
|
R

E

E

A

E

Y

F

R
|
R

H

R

H

H

S

S

Y

Y

M

L

A

S

A

P

A

I

A

A

K

T

A

G

V

V

M

I

C

V

G

G

F

L

G

G

V

I

L

Q

G

G

Y

Y

G

L

L

L

A

A

I

L

D

R

G

Y

L

L

A

A

Q

E

active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N82), G76 (≠ A85), E97 (= E106), H99 (= H108), R106 (= R115)
binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R21), Y22 (= Y26), N73 (= N82), G75 (= G84), G76 (≠ A85), H79 (= H88), H99 (= H108), I100 (= I109), S101 (= S110), R110 (= R119)

Query Sequence

>Ac3H11_29 FitnessBrowser__acidovorax_3H11:Ac3H11_29
VTAHKTVFVLNGPNLNLLGTREPAVYGAQTLADVEKLCAEACQRHGYALRFHQSNHEGAL
VDWIHEAGRLHAAGELAGVVINAGAYTHTSIALHDAIKGTGITLIELHISNVHAREAYRH
HSYMAAAAKAVMCGFGVLGYGLAIDGLAQLLAQQQPAA

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