SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012169975.1 NCBI__GCF_000010525.1:WP_012169975.1 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)

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, 97% coverage: 5:146/147 of query aligns to 10:152/157 of P15474

query
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P15474

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R24 (= R19) 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, 95% coverage: 5:143/147 of query aligns to 8:147/149 of 2cjfA

query
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2cjfA

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binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N12), L16 (= L13), L18 (= L15), L19 (= L16), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (≠ G78), H84 (≠ F81), H105 (= H101), I106 (= I102), S107 (= S103), R116 (≠ Y112)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
51% identity, 95% coverage: 5:143/147 of query aligns to 8:147/149 of 2bt4A

query
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2bt4A

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binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N12), L18 (= L15), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (≠ G78), H84 (≠ F81), H105 (= H101), I106 (= I102), S107 (= S103), R116 (≠ Y112)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
51% identity, 95% coverage: 5:143/147 of query aligns to 8:147/149 of 1gu1A

query
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1gu1A

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active site: P14 (= P11), N15 (= N12), R22 (= R19), Y27 (= Y24), N78 (= N75), A81 (≠ G78), E103 (= E99), H105 (= H101), R112 (= R108)
binding 2,3 -anhydro-quinic acid: Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (≠ G78), H84 (≠ F81), H105 (= H101), I106 (= I102), S107 (= S103), R116 (≠ Y112)
binding glycerol: N15 (= N12), L16 (= L13), L19 (= L16), Y27 (= Y24)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
51% identity, 95% coverage: 5:143/147 of query aligns to 9:148/150 of 1v1jA

query
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1v1jA

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active site: P15 (= P11), N16 (= N12), R23 (= R19), Y28 (= Y24), N79 (= N75), A82 (≠ G78), E104 (= E99), H106 (= H101), R113 (= R108)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y24), N79 (= N75), A81 (= A77), A82 (≠ G78), H85 (≠ F81), H106 (= H101), I107 (= I102), S108 (= S103), R117 (≠ Y112)

1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
51% identity, 95% coverage: 5:143/147 of query aligns to 8:147/149 of 1gtzA

query
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1gtzA

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active site: P14 (= P11), N15 (= N12), A22 (≠ R19), Y27 (= Y24), N78 (= N75), A81 (≠ G78), E103 (= E99), H105 (= H101), R112 (= R108)
binding 3-dehydroshikimate: Y27 (= Y24), A80 (= A77), A81 (≠ G78), H84 (≠ F81), H105 (= H101), I106 (= I102), S107 (= S103), R116 (≠ Y112)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 95% coverage: 4:143/147 of query aligns to 3:142/147 of 8idrC

query
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8idrC

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binding citrate anion: N74 (= N75), G76 (≠ A77), H100 (= H101), I101 (= I102), S102 (= S103)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
46% identity, 95% coverage: 4:143/147 of query aligns to 3:142/145 of 8iduA

query
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8iduA

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E

L

V

H
|
H

I
|
I

S
|
S

N

N

V

P

H

H

A

A

R

R

E

E

S

E

L

F

Y
x
R

H

H

K

H

S

S

L

Y

V

I

S

S

P

L

V

A

T

V

G

S

I

V

I

I

I

A

G

G

F

A

G

G

A

I

A

Q

G

G

Y

Y

E

R

L

F

A

A

I

V

E

D

A

I

M

L

A

A

R

N

L

L

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y24), N74 (= N75), G76 (≠ A77), G77 (= G78), H80 (≠ F81), H100 (= H101), I101 (= I102), S102 (= S103), R111 (≠ Y112)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 11:154/168 of 2c4wA

query
sites
2c4wA

R

K

I

I

Y

L

L

V

L

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

L

M

L
|
L

G

G

Q

H

R
|
R

E
x
D

P

P

A

R

I

L

Y
|
Y

G

G

T

M

A

V

T

T

L

L

K

D

E

Q

I

I

A

H

D

E

-

I

-

M

R

Q

S

T

A

F

E

V

K

K

G

Q

R

G

T

N

L

L

G

D

Y

V

D

E

I

L

E

E

F

F

R

F

Q

Q

T

T

N

N

F

F

E

E

G

G

E

E

L

I

V

I

E

D

S

K

V

I

H

Q

E

E

A

S

-

V

R

G

A

S

Q

E

A

Y

C

E

G

G

I

I

N
|
N

P

P

A
x
G

G
x
A

Y

F

T

S

F
x
H

T

T

S

S

V

I

A

A

L

I

L

A

D

D

A

A

L

I

K

M

M

L

F

A

D

G

G

K

P

P

K

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

S

E

L

F

Y
x
R

H

K

K

N

S

S

L

Y

V

T

S

G

P

A

V

A

V

C

T

G

G

G

I

V

I

I

I

M

G

G

F

F

G

G

A

P

A

L

G

G

Y

Y

E

N

L

M

A

A

I

L

E

M

A

A

M

M

A

V

R

N

L

I

V

L

active site: P18 (= P11), N19 (= N12), R26 (= R19), Y31 (= Y24), N85 (= N75), A88 (≠ G78), E109 (= E99), H111 (= H101), R118 (= R108)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L13), L23 (= L16), D27 (≠ E20), G87 (≠ A77), H91 (≠ F81), H111 (= H101), L112 (≠ I102), T113 (≠ S103), I115 (≠ V105), R122 (≠ Y112)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/158 of 4b6sA

query
sites
4b6sA

R

K

I

I

Y

L

L

V

L

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L
|
L

G

G

Q

H

R
|
R

E

D

P

P

A

R

I

L

Y
|
Y

G

G

T

M

A

V

T

T

L

L

K

D

E

Q

I

I

A

H

D

E

-

I

-

M

R

Q

S

T

A

F

E

V

K

K

G

Q

R

G

T

N

L

L

G

D

Y

V

D

E

I

L

E

E

F

F

R

F

Q

Q

T

T

N

N

F

F

E

E

G

G

E

E

L

I

V

I

E

D

S

K

V

I

H

Q

E

E

A

S

R

V

A

G

Q

S

A

D

C

Y

-

E

G

G

I

I

N
|
N

P

P

A
x
G

G
x
A

Y

F

T

S

F
x
H

T

T

S

S

V

I

A

A

L

I

L

A

D

D

A

A

L

I

K

M

M

L

F

A

D

G

G

K

P

P

K

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

S

E

L

F

Y
x
R

H

K

K

N

S

S

L

Y

V

T

S

G

P

A

V

A

V

C

T

G

G

G

I

V

I

I

I

M

G

G

F

F

G

G

A

P

A

L

G

G

Y

Y

E

N

L

M

A

A

I

L

E

M

A

A

M

M

A

V

R

N

L

I

V

L

active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), 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 (= N12), L14 (= L16), Y22 (= Y24), N76 (= N75), G78 (≠ A77), A79 (≠ G78), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/158 of 2xb9A

query
sites
2xb9A

R

K

I

I

Y

L

L

V

L

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

Q

H

R
|
R

E

D

P

P

A

R

I

L

Y
|
Y

G

G

T

M

A

V

T

T

L

L

K

D

E

Q

I

I

A

H

D

E

-

I

-

M

R

Q

S

T

A

F

E

V

K

K

G

Q

R

G

T

N

L

L

G

D

Y

V

D

E

I

L

E

E

F

F

R

F

Q

Q

T

T

N

N

F

F

E

E

G

G

E

E

L

I

V

I

E

D

S

K

V

I

H

Q

E

E

A

S

R

V

A

G

Q

S

A

D

C

Y

-

E

G

G

I

I

N
|
N

P

P

A

G

G
x
A

Y

F

T

S

F
x
H

T

T

S

S

V

I

A

A

L

I

L

A

D

D

A

A

L

I

K

M

M

L

F

A

D

G

G

K

P

P

K

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

S

E

L

F

Y
x
R

H

K

K

N

S

S

L

Y

V

T

S

G

P

A

V

A

V

C

T

G

G

G

I

V

I

I

I

M

G

G

F

F

G

G

A

P

A

L

G

G

Y

Y

E

N

L

M

A

A

I

L

E

M

A

A

M

M

A

V

R

N

L

I

V

L

active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), E100 (= E99), H102 (= H101), R109 (= R108)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N12), Y22 (= Y24), N76 (= N75), A79 (≠ G78), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/158 of 1j2yA

query
sites
1j2yA

R

K

I

I

Y

L

L

V

L

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

Q

H

R
|
R

E

D

P

P

A

R

I

L

Y
|
Y

G

G

T

M

A

V

T

T

L

L

K

D

E

Q

I

I

A

H

D

E

-

I

-

M

R

Q

S

T

A

F

E

V

K

K

G

Q

R

G

T

N

L

L

G

D

Y

V

D

E

I

L

E

E

F

F

R

F

Q

Q

T

T

N

N

F

F

E

E

G

G

E

E

L

I

V

I

E

D

S

K

V

I

H

Q

E

E

A

S

R

V

A

G

Q

S

A

D

C

Y

-

E

G

G

I

I

N
|
N

P

P

A
x
G

G
x
A

Y

F

T

S

F
x
H

T

T

S

S

V

I

A

A

L

I

L

A

D

D

A

A

L

I

K

M

M

L

F

A

D

G

G

K

P

P

K

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

S

E

L

F

Y
x
R

H

K

K

N

S

S

L

Y

V

T

S

G

P

A

V

A

V

C

T

G

G

G

I

V

I

I

I

M

G

G

F

F

G

G

A

P

A

L

G

G

Y

Y

E

N

L

M

A

A

I

L

E

M

A

A

M

M

A

V

R

N

L

I

V

L

active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), E100 (= E99), H102 (= H101), R109 (= R108)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y24), N76 (= N75), G78 (≠ A77), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

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)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/167 of Q48255

query
sites
Q48255

R

K

I

I

Y

L

L

V

L

I

N

Q

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

Q

H

R

R

E

D

P

P

A

R

I

L

Y

Y

G

G

T

M

A

V

T

T

L

L

K

D

E

Q

I

I

A

H

D

E

-

I

-

M

R

Q

S

T

A

F

E

V

K

K

G

Q

R

G

T

N

L

L

G

D

Y

V

D

E

I

L

E

E

F

F

R

F

Q

Q

T

T

N

N

F

F

E

E

G

G

E

E

L

I

V

I

E

D

S

K

V

I

H

Q

E

E

A

S

R

V

A

G

Q

S

A

D

C

Y

-

E

G

G

I

I

N
|
N

P

P

A

G

G

A

Y

F

T

S

F
x
H

T

T

S

S

V

I

A

A

L

I

L

A

D
|
D

A

A

L

I

K

M

M

L

F

A

D

G

G

K

P

P

K

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

S

E

L

F

Y
x
R

H

K

K

N

S

S

L

Y

V

T

S

G

P

A

V

A

V

C

T

G

G

G

I

V

I

I

I

M

G

G

F

F

G

G

A

P

A

L

G

G

Y

Y

E

N

L

M

A

A

I

L

E

M

A

A

M

M

A

V

R

N

L

I

V

L

N76 (= N75) binding substrate
H82 (≠ F81) binding substrate
D89 (= D88) binding substrate
R113 (≠ Y112) binding substrate

5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
44% identity, 96% coverage: 5:145/147 of query aligns to 3:145/145 of 5ydbA

query
sites
5ydbA

I

I

Y

L

L

V

L

I

N

H

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

Q

K

R
|
R

E

E

P

P

A

E

I

V

Y
|
Y

G

G

T

H

A

L

T

T

L

L

K

D

E

N

I

I

A

N

D

R

R

Q

S

L

A

I

E

A

K

Q

G

A

R

E

T

Q

L

A

G

S

Y

I

D

T

I

L

E

D

F

T

R

F

Q

Q

T

S

N

N

F

W

E

E

G

G

E

A

L

I

V

V

E

D

S

R

V

I

H

H

E

Q

A

A

R

Q

A

T

Q

E

A

G

C

V

G

K

-

L

I

I

N
|
N

P

P

A
|
A

G
x
A

Y

L

T

T

F
x
H

T

T

S

S

V

V

A

A

L

L

L

R

D

D

A

A

L

L

K

L

M

G

F

V

D

A

G

I

P

P

K

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

S

A

L

F

Y
x
R

H

H

K

H

S

S

L

Y

V

L

S

S

P

D

V

K

V

A

T

I

G

G

I

V

I

I

I

C

G

G

F

L

G

G

A

A

A

K

G

G

Y

Y

E

S

L

F

A

A

I

L

E

D

-

Y

A

A

M

I

A

E

R

K

L

I

V

Q

P

P

active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N74 (= N75), A77 (≠ G78), E98 (= E99), H100 (= H101), R107 (= R108)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N75), A76 (= A77), A77 (≠ G78), H80 (≠ F81), H100 (= H101), L101 (≠ I102), S102 (= S103), R111 (≠ Y112)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
44% identity, 96% coverage: 5:145/147 of query aligns to 3:145/145 of 5b6pB

query
sites
5b6pB

I

I

Y

L

L

V

L

I

N

H

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

Q

K

R
|
R

E

E

P

P

A

E

I

V

Y
|
Y

G

G

T

H

A

L

T

T

L

L

K

D

E

N

I

I

A

N

D

R

R

Q

S

L

A

I

E

A

K

Q

G

A

R

E

T

Q

L

A

G

S

Y

I

D

T

I

L

E

D

F

T

R

F

Q

Q

T

S

N

N

F

W

E

E

G

G

E

A

L

I

V

V

E

D

S

R

V

I

H

H

E

Q

A

A

R

Q

A

T

Q

E

A

G

C

V

G

K

-

L

I

I

N
|
N

P

P

A

A

G
x
A

Y

L

T

T

F

H

T

T

S

S

V

V

A

A

L

L

L

R

D

D

A

A

L

L

K

L

M

G

F

V

D

A

G

I

P

P

K

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

S

A

L

F

Y

R

H

H

K

H

S

S

L

Y

V

L

S

S

P

D

V

K

V

A

T

I

G

G

I

V

I

I

I

C

G

G

F

L

G

G

A

A

A

K

G

G

Y

Y

E

S

L

F

A

A

I

L

E

D

-

Y

A

A

M

I

A

E

R

K

L

I

V

Q

P

P

active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N74 (= N75), A77 (≠ G78), E98 (= E99), H100 (= H101), R107 (= R108)
binding sulfate ion: N74 (= N75), H100 (= H101), L101 (≠ I102), S102 (= S103)

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/157 of 4b6rA

query
sites
4b6rA

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active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), 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 (= Y24), N76 (= N75), G78 (≠ A77), A79 (≠ G78), H82 (≠ F81), D89 (= D88), L93 (≠ M92), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

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)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/150 of 2xdaA

query
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2xdaA

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active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), 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 (= N12), L11 (= L13), M13 (≠ L15), Y22 (= Y24), N76 (= N75), A79 (≠ G78), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

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)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/153 of 2xd9A

query
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2xd9A

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active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), 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 (= N12), L14 (= L16), Y22 (= Y24), N76 (= N75), G78 (≠ A77), A79 (≠ G78), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
40% identity, 96% coverage: 4:144/147 of query aligns to 2:145/153 of 2wksA

query
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2wksA

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active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (≠ G78), 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 (= L13), Y22 (= Y24), N76 (= N75), G78 (≠ A77), A79 (≠ G78), H82 (≠ F81), H102 (= H101), L103 (≠ I102), T104 (≠ S103), R113 (≠ Y112)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
44% identity, 95% coverage: 5:144/147 of query aligns to 3:142/142 of 4b6pA

query
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4b6pA

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active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (= G78), E97 (= E99), H99 (= H101), R106 (= R108)
binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N12), L14 (= L16), R17 (= R19), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (= G78), H79 (≠ F81), H99 (= H101), I100 (= I102), S101 (= S103), R110 (≠ Y112)

Query Sequence

>WP_012169975.1 NCBI__GCF_000010525.1:WP_012169975.1
MDRRIYLLNGPNLNLLGQREPAIYGTATLKEIADRSAEKGRTLGYDIEFRQTNFEGELVE
SVHEARAQACGIIINPAGYTFTSVALLDALKMFDGPKIELHISNVHARESLYHKSLVSPV
VTGIIIGFGAAGYELAIEAMARLVPAA

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