SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CA265_RS09515 FitnessBrowser__Pedo557:CA265_RS09515 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q48255 3-dehydroquinate dehydratase; 3-dehydroquinase; Type II DHQase; EC 4.2.1.10 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/167 of Q48255

query
sites
Q48255

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N76 (= N72) binding
H82 (= H78) binding
D89 (= D85) binding
R113 (= R109) binding

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)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/153 of 2xd9A

query
sites
2xd9A

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
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 (= N72), G78 (= G74), A79 (≠ G75), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/153 of 2wksA

query
sites
2wksA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
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 (= N72), G78 (= G74), A79 (≠ G75), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/158 of 4b6sA

query
sites
4b6sA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
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 (= N72), G78 (= G74), A79 (≠ G75), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/158 of 2xb9A

query
sites
2xb9A

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N11), Y22 (= Y23), N76 (= N72), A79 (≠ G75), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/158 of 1j2yA

query
sites
1j2yA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y23), N76 (= N72), G78 (= G74), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

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)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/150 of 2xdaA

query
sites
2xdaA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
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 (= N72), A79 (≠ G75), H82 (= H78), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 1:142/157 of 4b6rA

query
sites
4b6rA

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P

P

S

R

I

L

Y
|
Y

G

G

N

M

T

V

S

T

I

L

E

-

D

D

Y

Q

I

I

K

H

E

E

L

I

K

M

T

Q

V

T

Y

F

P

V

-

K

-

Q

-

G

-

N

-

L

D

D

I

V

E

E

I

L

E

E

Y

F

Q

Q

S

T

N

N

V

F

E

E

G

G

E

E

I

I

N

D

K

K

L

I

H

Q

E

E

-

S

V

V

G

G

F

S

S

D

Y

Y

D

E

G

G

V

I

L

I

N
|
N

A

P

G
|
G

G
x
A

Y

F

T

S

H
|
H

T

T

S

S

V

I

A

A

I

I

A

A

D
|
D

A

A

I

I

A

M

A
x
L

I

A

K

G

T

K

P

P

V

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

Y

Q

A

A

R
|
R

E

E

Y

F

R
|
R

H

K

V

N

S

S

L

Y

T

T

G

G

K

A

N

A

C

C

Q

G

G

G

V

V

L

I

T

M

G

G

F

F

G

G

M

P

K

L

G

G

Y

Y

R

N

L

M

A

A

I

L

E

M

S

A

L

M

L

V

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N76 (= N72), A79 (≠ G75), E100 (= E96), H102 (= H98), R109 (= R105)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y23), N76 (= N72), G78 (= G74), A79 (≠ G75), H82 (= H78), D89 (= D85), L93 (≠ A89), H102 (= H98), L103 (≠ I99), T104 (≠ S100), R113 (= R109)

2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
48% identity, 99% coverage: 2:138/139 of query aligns to 10:151/168 of 2c4wA

query
sites
2c4wA

M

M

K

K

I

I

Q

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L
|
L

N

N

L

M

L
|
L

G

G

V

H

R
|
R

E
x
D

P

P

S

R

I

L

Y
|
Y

G

G

N

M

T

V

S

T

I

L

E

-

D

D

Y

Q

I

I

K

H

E

E

L

I

K

M

T

Q

V

T

Y

F

P

V

-

K

-

Q

-

G

-

N

-

L

D

D

I

V

E

E

I

L

E

E

Y

F

Q

Q

S

T

N

N

V

F

E

E

G

G

E

E

I

I

N

D

K

K

L

I

H

Q

E

E

-

S

V

V

G

G

F

S

S

E

Y

Y

D

E

G

G

V

I

L

I

N
|
N

A

P

G
|
G

G
x
A

Y

F

T

S

H
|
H

T

T

S

S

V

I

A

A

I

I

A

A

D

D

A

A

I

I

A

M

A

L

I

A

K

G

T

K

P

P

V

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I
|
I

Y

Q

A

A

R
|
R

E

E

Y

F

R
|
R

H

K

V

N

S

S

L

Y

T

T

G

G

K

A

N

A

C

C

Q

G

G

G

V

V

L

I

T

M

G

G

F

F

G

G

M

P

K

L

G

G

Y

Y

R

N

L

M

A

A

I

L

E

M

S

A

L

M

L

V

active site: P18 (= P10), N19 (= N11), R26 (= R18), Y31 (= Y23), N85 (= N72), A88 (≠ G75), E109 (= E96), H111 (= H98), R118 (= R105)
binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L12), L23 (= L15), D27 (≠ E19), G87 (= G74), H91 (= H78), H111 (= H98), L112 (≠ I99), T113 (≠ S100), I115 (= I102), R122 (= R109)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
48% identity, 97% coverage: 3:137/139 of query aligns to 3:139/147 of 8idrC

query
sites
8idrC

K

K

I

I

Q

L

I

L

N

N

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

V

K

R

R

E

E

P

P

S

D

I

I

Y

Y

G

G

N

H

T

D

S

T

I

L

E

E

D

D

Y

V

I

V

K

A

-

L

-

A

E

T

L

A

K

E

T

A

V

A

Y

K

P

H

D

G

I

L

E

E

I

V

E

E

Y

A

Y

L

Q

Q

S

S

N

N

V

H

E

E

G

G

E

E

I

L

I

I

N

D

K

A

L

L

H

H

E

N

V

A

G

R

F

G

S

T

Y

H

D

I

G

G

V

C

V

V

L

I

N
|
N

A

P

G
|
G

G

G

Y

L

T

T

H

H

T

T

S

S

V

V

A

A

I

L

A

L

D

D

A

A

I

V

A

K

A

A

I

S

K

E

T

L

P

P

V

T

V

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

P

Y

H

A

A

R

R

E

E

Y

F

R

R

H

H

V

H

S

S

L

Y

T

I

G

S

K

L

N

A

C

A

Q

V

G

S

V

V

L

I

T

A

G

G

F

A

G

G

M

I

K

Q

G

G

Y

Y

R

R

L

F

A

A

I

V

E

D

S

I

L

L

binding citrate anion: N74 (= N72), G76 (= G74), H100 (= H98), I101 (= I99), S102 (= S100)

6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
51% identity, 98% coverage: 2:137/139 of query aligns to 4:143/145 of 6hsaA

query
sites
6hsaA

M

M

K

K

I

I

Q

L

I

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

N

N

L

F

L

L

G

G

V

I

R
|
R

E

E

P

K

S

N

I

I

Y
|
Y

G

G

N

N

T

E

S

N

I

Y

E

E

D

-

Y

Y

I

L

K

V

E

N

L

M

K

I

T

N

V

E

Y

Y

-

C

-

K

-

S

P

K

D

N

I

I

E

E

I

V

E

E

Y

C

Y

Y

Q

Q

S

S

N

N

V

H

E

E

G

G

E

A

I

I

N

D

K

K

L

I

H

Q

E

E

V

A

G

Y

F

F

S

N

-

G

Y

T

D

D

G

G

V

I

V

V

L

I

N
|
N

A

P

G

G

G
x
A

Y

Y

T

T

H

H

T

Y

S

S

V

Y

A

A

I

I

A

R

D

D

A

A

I

L

A

A

A

S

I

V

K

S

-

H

T

I

P

K

V

K

V

I

E
|
E

V

V

H
|
H

I

I

S

S

N

N

I

V

Y
x
N

A

E

R
|
R

E

E

Y

F

R

R

H

H

V

I

S

S

L

V

T

T

G

E

K

P

N

V

C

C

Q

N

G

G

V
x
Q

L

I

T

V

G

G

F

Q

G

G

M

L

K

K

G

G

Y

Y

R

I

L

M

A

A

I

I

E

D

S

M

L

L

active site: P12 (= P10), N13 (= N11), R20 (= R18), Y25 (= Y23), N77 (= N72), A80 (≠ G75), E102 (= E96), H104 (= H98), R111 (= R105)
binding serine: N109 (≠ Y103), Q127 (≠ V121)

6hs9A The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
51% identity, 98% coverage: 2:137/139 of query aligns to 4:143/145 of 6hs9A

query
sites
6hs9A

M

M

K

K

I

I

Q

L

I

V

I

I

N

N

G

G

P
|
P

N
|
N

L

L

N

N

L

F

L

L

G

G

V

I

R
|
R

E

E

P

K

S

N

I

I

Y
|
Y

G

G

N

N

T

E

S

N

I

Y

E

E

D

-

Y

Y

I

L

K

V

E

N

L

M

K

I

T

N

V

E

Y

Y

-

C

-

K

-

S

P

K

D

N

I

I

E

E

I

V

E

E

Y

C

Y

Y

Q

Q

S

S

N

N

V

H

E

E

G

G

E

A

I

I

N

D

K

K

L

I

H

Q

E

E

V

A

G

Y

F

F

S

N

-

G

Y

T

D

D

G

G

V

I

V

V

L

I

N
|
N

A

P

G
|
G

G
x
A

Y

Y

T

T

H
|
H

T

Y

S

S

V

Y

A

A

I

I

A

R

D

D

A

A

I

L

A

A

A

S

I

V

K

S

-

H

T

I

P

K

V

K

V

I

E
|
E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

V

Y

N

A

E

R
|
R

E

E

Y

F

R
|
R

H

H

V

I

S

S

L

V

T

T

G

E

K

P

N

V

C

C

Q

N

G

G

V

Q

L

I

T

V

G

G

F

Q

G

G

M

L

K

K

G

G

Y

Y

R

I

L

M

A

A

I

I

E

D

S

M

L

L

active site: P12 (= P10), N13 (= N11), R20 (= R18), Y25 (= Y23), N77 (= N72), A80 (≠ G75), E102 (= E96), H104 (= H98), R111 (= R105)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R20 (= R18), Y25 (= Y23), G79 (= G74), A80 (≠ G75), H83 (= H78), I105 (= I99), S106 (= S100), R115 (= R109)

2c57A H.Pylori type ii dehydroquinase in complex with fa1 (see paper)
46% identity, 99% coverage: 2:138/139 of query aligns to 14:148/164 of 2c57A

query
sites
2c57A

M

M

K

K

I

I

Q

L

I

V

I

I

N

Q

G

G

P
|
P

N
|
N

L

L

N

N

L

M

L

L

G

G

V

-

R

-

E

-

P

-

S

-

I

-

Y

-

G

G

N

M

T

V

S

T

I

L

E

-

D

D

Y

Q

I

I

K

H

E

E

L

I

K

M

T

Q

V

T

Y

F

P

V

-

K

-

Q

-

G

-

N

-

L

D

D

I

V

E

E

I

L

E

E

Y

F

Q

Q

S

T

N

N

V

F

E

E

G

G

E

E

I

I

N

D

K

K

L

I

H

Q

E

E

-

S

V

V

G

G

F

S

S

D

Y

Y

D

E

G

G

V

I

L

I

N
|
N

A

P

G
|
G

G
x
A

Y

F

T

S

H
|
H

T

T

S

S

V

I

A

A

I

I

A

A

D

D

A

A

I

I

A

M

A

L

I

A

K

G

T

K

P

P

V

V

V

I

E
|
E

V

V

H
|
H

I
x
L

S
x
T

N

N

I

I

Y

Q

A

A

R
|
R

E

E

Y

F

R
|
R

H

K

V

N

S

S

L

Y

T

T

G

G

K

A

N

A

C

C

Q

G

G

G

V

V

L

I

T

M

G

G

F

F

G

G

M

P

K

L

G

G

Y

Y

R

N

L

M

A

A

I

L

E

M

S

A

L

M

L

V

active site: P22 (= P10), N23 (= N11), N82 (= N72), A85 (≠ G75), E106 (= E96), H108 (= H98), R115 (= R105)
binding 2,3 -anhydro-quinic acid: N82 (= N72), G84 (= G74), A85 (≠ G75), H88 (= H78), H108 (= H98), L109 (≠ I99), T110 (≠ S100), R119 (= R109)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 97% coverage: 3:137/139 of query aligns to 3:139/145 of 8iduA

query
sites
8iduA

K

K

I

I

Q

L

I

L

N

N

G

G

P

P

N

N

L

L

N

N

L

M

L

L

G

G

V

K

R

A

E

E

P

P

S

D

I

I

Y
|
Y

G

G

N

H

T

D

S

T

I

L

E

E

D

D

Y

V

I

V

K

A

-

L

-

A

E

T

L

A

K

E

T

A

V

A

Y

K

P

H

D

G

I

L

E

E

I

V

E

E

Y

A

Y

L

Q

Q

S

S

N

N

V

H

E

E

G

G

E

E

I

L

I

I

N

D

K

A

L

L

H

H

E

N

V

A

G

R

F

G

S

T

Y

H

D

I

G

G

V

C

V

V

L

I

N
|
N

A

P

G
|
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

A

L

D

D

A

A

I

V

A

K

A

A

I

S

K

E

T

L

P

P

V

T

V

V

E

E

V

V

H
|
H

I
|
I

S
|
S

N

N

I

P

Y

H

A

A

R

R

E

E

Y

F

R
|
R

H

H

V

H

S

S

L

Y

T

I

G

S

K

L

N

A

C

A

Q

V

G

S

V

V

L

I

T

A

G

G

F

A

G

G

M

I

K

Q

G

G

Y

Y

R

R

L

F

A

A

I

V

E

D

S

I

L

L

binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y23), N74 (= N72), G76 (= G74), G77 (= G75), H80 (= H78), H100 (= H98), I101 (= I99), S102 (= S100), R111 (= R109)

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)
43% identity, 96% coverage: 4:137/139 of query aligns to 10:146/157 of P15474

query
sites
P15474

I

I

Q

M

I

I

I

L

N

N

G

G

P

P

N

N

L

L

N

N

L

L

G

G

V

Q

R
|
R

E

Q

P

P

S

E

I

I

Y

Y

G

G

N

S

T

D

S

T

I

L

E

A

D

D

Y

-

I

V

K

E

E

A

L

L

K

C

T

V

V

K

Y

A

P

A

D

A

I

A

E

H

-

G

-

T

I

V

E

D

Y

F

Y

R

Q

Q

S

S

N

N

V

H

E

E

G

G

E

E

I

L

I

V

N

D

K

W

L

I

H

H

E

E

V

A

G

R

F

L

S

N

Y

H

D

C

G

G

V

I

V

V

L

I

N

N

A

P

G

A

Y

Y

T

S

H

H

T

T

S

S

V

V

A

A

I

I

A

L

D

D

A

A

I

L

A

N

A

T

I

C

K

D

-

G

T

L

P

P

V

V

E

E

V

V

H

H

I

I

S

S

N

N

I

I

Y

H

A

Q

R

R

E

E

E

P

Y

F

R

R

H

H

V

H

S

S

L

Y

T

V

G

S

K

Q

N

R

C

A

Q

D

G

G

V

V

L

V

T

A

G

G

F

C

G

G

M

V

K

Q

G

G

Y

Y

R

V

L

F

A

G

I

V

E

E

S

R

L

I

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)
43% identity, 96% coverage: 4:137/139 of query aligns to 8:144/149 of 2cjfA

query
sites
2cjfA

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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 (= N72), A80 (≠ G74), A81 (≠ G75), H84 (= H78), H105 (= H98), I106 (= I99), S107 (= S100), R116 (= R109)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
43% identity, 96% coverage: 4:137/139 of query aligns to 8:144/149 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 (= N11), L18 (= L14), R22 (= R18), Y27 (= Y23), N78 (= N72), A80 (≠ G74), A81 (≠ G75), H84 (= H78), H105 (= H98), I106 (= I99), S107 (= S100), R116 (= R109)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
43% identity, 96% coverage: 4:137/139 of query aligns to 8:144/149 of 1gu1A

query
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1gu1A

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active site: P14 (= P10), N15 (= N11), R22 (= R18), Y27 (= Y23), N78 (= N72), A81 (≠ G75), E103 (= E96), H105 (= H98), R112 (= R105)
binding 2,3 -anhydro-quinic acid: Y27 (= Y23), N78 (= N72), A80 (≠ G74), A81 (≠ G75), H84 (= H78), H105 (= H98), I106 (= I99), S107 (= S100), R116 (= R109)
binding glycerol: N15 (= N11), L16 (= L12), L19 (= L15), Y27 (= Y23)

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
43% identity, 96% coverage: 4:137/139 of query aligns to 9:145/150 of 1v1jA

query
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1v1jA

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active site: P15 (= P10), N16 (= N11), R23 (= R18), Y28 (= Y23), N79 (= N72), A82 (≠ G75), E104 (= E96), H106 (= H98), R113 (= R105)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y23), N79 (= N72), A81 (≠ G74), A82 (≠ G75), H85 (= H78), H106 (= H98), I107 (= I99), S108 (= S100), R117 (= R109)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
40% identity, 96% coverage: 4:137/139 of query aligns to 3:138/142 of 4b6pA

query
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4b6pA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N72), G76 (= G75), E97 (= E96), H99 (= H98), R106 (= R105)
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), R17 (= R18), Y22 (= Y23), N73 (= N72), G75 (= G74), G76 (= G75), H79 (= H78), H99 (= H98), I100 (= I99), S101 (= S100), R110 (= R109)

Query Sequence

>CA265_RS09515 FitnessBrowser__Pedo557:CA265_RS09515
MMKIQIINGPNLNLLGVREPSIYGNTSIEDYIKELKTVYPDIEIEYYQSNVEGEIINKLH
EVGFSYDGVVLNAGGYTHTSVAIADAIAAIKTPVVEVHISNIYAREEYRHVSLTGKNCQG
VLTGFGMKGYRLAIESLLI

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