SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Synpcc7942_0915 FitnessBrowser__SynE:Synpcc7942_0915 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
52% identity, 95% coverage: 4:144/149 of query aligns to 3:144/145 of 5ydbA

query
sites
5ydbA

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N74 (= N74), A77 (= A77), E98 (= E98), H100 (= H100), R107 (= R107)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N74), A76 (≠ G76), A77 (= A77), H80 (= H80), H100 (= H100), L101 (= L101), S102 (= S102), R111 (= R111)

5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
52% identity, 95% coverage: 4:144/149 of query aligns to 3:144/145 of 5b6pB

query
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5b6pB

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active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N74 (= N74), A77 (= A77), E98 (= E98), H100 (= H100), R107 (= R107)
binding sulfate ion: N74 (= N74), H100 (= H100), L101 (= L101), S102 (= S102)

8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
52% identity, 93% coverage: 3:141/149 of query aligns to 3:141/147 of 8idrC

query
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8idrC

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binding citrate anion: N74 (= N74), G76 (= G76), H100 (= H100), I101 (≠ L101), S102 (= S102)

8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
51% identity, 93% coverage: 3:141/149 of query aligns to 3:141/145 of 8iduA

query
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8iduA

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binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y23), N74 (= N74), G76 (= G76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (≠ L101), S102 (= S102), R111 (= R111)

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, 91% coverage: 4:139/149 of query aligns to 10:146/157 of P15474

query
sites
P15474

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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

1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
52% identity, 91% coverage: 4:139/149 of query aligns to 9:145/150 of 1v1jA

query
sites
1v1jA

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active site: P15 (= P10), N16 (= N11), R23 (= R18), Y28 (= Y23), N79 (= N74), A82 (= A77), E104 (= E98), H106 (= H100), R113 (= R107)
binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y23), N79 (= N74), A81 (≠ G76), A82 (= A77), H85 (= H80), H106 (= H100), I107 (≠ L101), S108 (= S102), R117 (= R111)

2cjfA Type ii dehydroquinase inhibitor complex (see paper)
52% identity, 91% coverage: 4:139/149 of query aligns to 8:144/149 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 (= N11), L16 (= L12), L18 (= L14), L19 (= L15), R22 (= R18), Y27 (= Y23), N78 (= N74), A80 (≠ G76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (≠ L101), S107 (= S102), R116 (= R111)

2bt4A Type ii dehydroquinase inhibitor complex (see paper)
52% identity, 91% coverage: 4:139/149 of query aligns to 8:144/149 of 2bt4A

query
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2bt4A

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G

F

C

G

G

P

V

D

Q

S

G

Y

Y

R

V

L

F

G

G

L

V

Q

E

A

R

I

I

binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N11), L18 (= L14), R22 (= R18), Y27 (= Y23), N78 (= N74), A80 (≠ G76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (≠ L101), S107 (= S102), R116 (= R111)

1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
52% identity, 91% coverage: 4:139/149 of query aligns to 8:144/149 of 1gu1A

query
sites
1gu1A

I

I

L

M

V

I

L

L

H

N

G

G

P
|
P

N
|
N

L
|
L

N

N

L

L

L
|
L

G

G

L

Q

R
|
R

E

Q

P

P

T

E

I

I

Y
|
Y

G

G

Q

S

T

D

T

T

L

L

A

A

E

D

I

V

D

E

A

A

D

L

L

C

I

V

Q

K

L

A

G

A

Q

A

T

A

L

H

G

G

V

G

D

T

V

V

S

D

T

F

L

R

Q

Q

S

S

N

N

H

H

E

E

G

G

V

E

L

L

V

V

D

D

A

W

I

I

H

H

T

E

A

A

R

R

E

L

H

N

Q

H

D

C

G

G

L

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

V

V

A

A

I

I

R

L

D

D

A

A

I

L

A

N

G

T

T

C

Q

D

-

G

I

L

P

P

T

V

V

V

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

I

H

H

K

Q

R
|
R

E

E

A

P

F

F

R
|
R

H

H

S

S

Y

Y

L

V

A

S

P

Q

V

R

V

A

V

D

G

G

Q

V

I

V

C

A

G

G

F

C

G

G

P

V

D

Q

S

G

Y

Y

R

V

L

F

G

G

L

V

Q

E

A

R

I

I

active site: P14 (= P10), N15 (= N11), R22 (= R18), Y27 (= Y23), N78 (= N74), A81 (= A77), E103 (= E98), H105 (= H100), R112 (= R107)
binding 2,3 -anhydro-quinic acid: Y27 (= Y23), N78 (= N74), A80 (≠ G76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (≠ L101), S107 (= S102), R116 (= R111)
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)
51% identity, 91% coverage: 4:139/149 of query aligns to 8:144/149 of 1gtzA

query
sites
1gtzA

I

I

L

M

V

I

L

L

H

N

G

G

P
|
P

N
|
N

L

L

N

N

L

L

G

G

L

Q

R
x
A

E

Q

P

P

T

E

I

I

Y
|
Y

G

G

Q

S

T

D

T

T

L

L

A

A

E

D

I

V

D

E

A

A

D

L

L

C

I

V

Q

K

L

A

G

A

Q

A

T

A

L

H

G

G

V

G

D

T

V

V

S

D

T

F

L

R

Q

Q

S

S

N

N

H

H

E

E

G

G

V

E

L

L

V

V

D

D

A

W

I

I

H

H

T

E

A

A

R

R

E

L

H

N

Q

H

D

C

G

G

L

I

V

V

I

I

N
|
N

A

P

G
x
A

A
|
A

Y

Y

T

S

H
|
H

T

T

S

S

V

V

A

A

I

I

R

L

D

D

A

A

I

L

A

N

G

T

T

C

Q

D

-

G

I

L

P

P

T

V

V

V

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

I

H

H

K

Q

R
|
R

E

E

A

P

F

F

R
|
R

H

H

S

S

Y

Y

L

V

A

S

P

Q

V

R

V

A

V

D

G

G

Q

V

I

V

C

A

G

G

F

C

G

G

P

V

D

Q

S

G

Y

Y

R

V

L

F

G

G

L

V

Q

E

A

R

I

I

active site: P14 (= P10), N15 (= N11), A22 (≠ R18), Y27 (= Y23), N78 (= N74), A81 (= A77), E103 (= E98), H105 (= H100), R112 (= R107)
binding 3-dehydroshikimate: Y27 (= Y23), A80 (≠ G76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (≠ L101), S107 (= S102), R116 (= R111)

3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
46% identity, 93% coverage: 6:143/149 of query aligns to 6:143/143 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

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

L

V

active site: P10 (= P10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N11), R14 (≠ L14), R18 (= R18), Y23 (= Y23), N74 (= N74), G76 (= G76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (≠ L101), S102 (= S102), R111 (= R111)

3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
46% identity, 93% coverage: 6:143/149 of query aligns to 14:151/151 of 3n8kM

query
sites
3n8kM

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L

R

L

L

G

G

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

L

V

active site: P18 (= P10), N19 (= N11), N82 (= N74), G85 (≠ A77), E106 (= E98), H108 (= H100), R115 (= R107)
binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R18), Y31 (= Y23), N82 (= N74), G84 (= G76), H88 (= H80), H108 (= H100), I109 (≠ L101), S110 (= S102), R119 (= R111)

4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
46% identity, 93% coverage: 6:143/149 of query aligns to 5:142/142 of 4b6pA

query
sites
4b6pA

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L

R

L
|
L

G

G

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

L

V

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
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 (= N74), G75 (= G76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (≠ L101), S101 (= S102), R110 (= R111)

4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 6:142/142 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

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P10 (= P10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N11), N74 (= N74), G76 (= G76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (≠ L101), S102 (= S102), R111 (= R111)

3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 6:142/142 of 3n59C

query
sites
3n59C

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L

R

L

L

G

G

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P10 (= P10), N11 (= N11), R18 (= R18), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R18), Y23 (= Y23), G76 (= G76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (≠ L101), S102 (= S102), R111 (= R111)

4kiwA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 5:141/141 of 4kiwA

query
sites
4kiwA

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L
|
L

N

G

L
x
R

L
|
L

G

G

L

R

R
|
R

E

E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

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V

T

V

L

R

Q

Q

S

S

N

D

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S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
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N

A

A

G
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G

A
x
G

Y

L

T

T

H
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H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

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S

I

A

P

P

T

L

V

I

E
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E

V

V

H
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H

L
x
I

S
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S

N

N

I
x
V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N11), L11 (= L12), R13 (≠ L14), L14 (= L15), Y22 (= Y23), N73 (= N74), G75 (= G76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (≠ L101), S101 (= S102), V103 (≠ I104), R110 (= R111)

4kiuA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 5:141/141 of 4kiuA

query
sites
4kiuA

V

V

L

I

H

N

G

G

P
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P

N
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N

L

L

N

G

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x
R

L
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L

G

G

L

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R
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R

E
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E

P

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A

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Y
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Y

G

G

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G

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T

L

H

A

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E

E

I

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V

A

A

D

L

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A

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A

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L

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G

V

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V

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S

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E

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A

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L

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A

W

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A

A

R

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A

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V

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N
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N

A

A

G
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G

A
x
G

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H
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H

T

T

S

S

V

V

A

A

I

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D

D

A

A

I

C

A

A

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I

A

P

P

T

L

V

I

E
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E

V

V

H
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H

L
x
I

S
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S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N11), R13 (≠ L14), L14 (= L15), E18 (= E19), Y22 (= Y23), G75 (= G76), H79 (= H80), H99 (= H100), I100 (≠ L101), S101 (= S102), R110 (= R111)

4ciwA Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy) ethylcyclohex-2-ene-1-carboxylic acid (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 5:141/141 of 4ciwA

query
sites
4ciwA

V

V

L

I

H

N

G

G

P
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P

N
|
N

L

L

N

G

L

R

L

L

G

G

L

R

R
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R

E

E

P

P

T

A

I

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Y
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Y

G

G

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G

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T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

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R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

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R

Q

Q

S

S

N

D

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S

E

E

G

A

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L

L

V

L

D

D

A

W

I

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Q

A

A

R

A

E

D

H

A

Q

A

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P

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V

I

I

L

N
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N

A

A

G
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G

A
x
G

Y

L

T

T

H
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H

T

T

S

S

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V

A

A

I

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R

D

D

A

A

I

C

A

A

G

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I

A

P

P

T

L

V

I

E
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E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
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R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

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G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

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G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y23), N73 (= N74), G75 (= G76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (≠ L101), S101 (= S102), R110 (= R111)

3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 5:141/141 of 3n87A

query
sites
3n87A

V

V

L

I

H

N

G

G

P
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P

N
|
N

L

L

N

G

L

R

L

L

G

G

L

R

R
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R

E

E

P

P

T

A

I

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Y
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Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

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E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D

D

A

A

I

C

A

A

G

E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), Y22 (= Y23), N73 (= N74), G75 (= G76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (≠ L101), S101 (= S102), R110 (= R111)

3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
46% identity, 92% coverage: 6:142/149 of query aligns to 5:141/141 of 3n86A

query
sites
3n86A

V

V

L

I

H

N

G

G

P
|
P

N
|
N

L

L

N

G

L
x
R

L

L

G

G

L

R

R
|
R

E
|
E

P

P

T

A

I

V

Y
|
Y

G

G

Q

G

T

T

L

H

A

D

E

E

I

L

D

V

A

A

D

L

L

I

I

E

Q

R

L

E

G

A

Q

A

T

E

L

L

G

G

V

L

D

K

V

A

S

V

T

V

L

R

Q

Q

S

S

N

D

H

S

E

E

G

A

V

Q

L

L

V

L

D

D

A

W

I

I

H

H

T

Q

A

A

R

A

E

D

H

A

Q

A

D

E

G

P

L

V

V

I

I

L

N
|
N

A

A

G
|
G

A
x
G

Y

L

T

T

H
|
H

T

T

S

S

V

V

A

A

I

L

R

R

D
|
D

A

A

I

C

A

A

G
x
E

T

L

Q

S

I

A

P

P

T

L

V

I

E
|
E

V

V

H
|
H

L
x
I

S
|
S

N

N

I

V

H

H

K

A

R
|
R

E

E

A

E

F

F

R
|
R

H

R

H

H

S

S

Y

Y

L

L

A

S

P

P

V

I

V

A

V

T

G

G

Q

V

I

I

C

V

G

G

F

L

G

G

P

I

D

Q

S

G

Y

Y

R

L

L

L

G

A

L

L

Q

R

A

Y

I

L

V

A

N

E

H

H

active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), R13 (≠ L14), E18 (= E19), Y22 (= Y23), N73 (= N74), G75 (= G76), G76 (≠ A77), H79 (= H80), D86 (= D87), E90 (≠ G91), H99 (= H100), I100 (≠ L101), S101 (= S102), R110 (= R111)

Query Sequence

>Synpcc7942_0915 FitnessBrowser__SynE:Synpcc7942_0915
LLKILVLHGPNLNLLGLREPTIYGQTTLAEIDADLIQLGQTLGVDVSTLQSNHEGVLVDA
IHTAREHQDGLVINAGAYTHTSVAIRDAIAGTQIPTVEVHLSNIHKREAFRHHSYLAPVV
VGQICGFGPDSYRLGLQAIVNHLQALATV

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