SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PfGW456L13_2503 FitnessBrowser__pseudo13_GW456_L13:PfGW456L13_2503 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)

P47229 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase; HOPDA hydrolase; 2,6-dioxo-6-phenylhexa-3-enoate hydrolase; EC 3.7.1.8 from Paraburkholderia xenovorans (strain LB400) (see paper)
39% identity, 94% coverage: 16:273/275 of query aligns to 23:286/286 of P47229

query
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P47229

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S112 (= S104) mutation to A: Catalyzes the tautomerisation of HOPDA. Extremely low hydrolase activity; when associated with A-265.
H265 (= H252) mutation to A: Unable to catalyze the tautomerisation of HOPDA. Extremely low hydrolase activity; when associated with A-112.

2og1A Crystal structure of bphd, a c-c hydrolase from burkholderia xenovorans lb400 (see paper)
39% identity, 94% coverage: 16:273/275 of query aligns to 22:285/285 of 2og1A

query
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2og1A

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active site: G41 (≠ S35), G42 (= G36), G44 (= G38), N110 (= N103), S111 (= S104), M112 (≠ L105), L155 (≠ M148), R189 (= R185), A207 (≠ T199), D236 (= D224), H264 (= H252), W265 (= W253)
binding glycerol: Y52 (≠ K46), E184 (= E180)

2rhwA Crystal structure of the s112a mutant of a c-c hydrolase, bphd from burkholderia xenovorans lb400, in complex with 3,10-di-fluoro hopda (see paper)
38% identity, 94% coverage: 16:273/275 of query aligns to 20:283/283 of 2rhwA

query
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2rhwA

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active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R185), D234 (= D224), H262 (= H252), W263 (= W253)
binding 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid: G38 (= G34), G39 (≠ S35), G40 (= G36), A109 (≠ S104), M110 (≠ L105), G135 (= G130), I150 (= I145), F172 (≠ Q170), L210 (vs. gap), F236 (= F226), V237 (≠ C227), H262 (= H252)

2rhtA Crystal structure of the s112a mutant of a c-c hydrolase, bphd from burkholderia xenovorans lb400, in complex with 3-cl hopda (see paper)
38% identity, 94% coverage: 16:273/275 of query aligns to 20:283/283 of 2rhtA

query
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2rhtA

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active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R185), D234 (= D224), H262 (= H252), W263 (= W253)
binding (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G34), G39 (≠ S35), G40 (= G36), A109 (≠ S104), M110 (≠ L105), I150 (= I145), L153 (≠ M148), F172 (≠ Q170), R187 (= R185), F236 (= F226), V237 (≠ C227), H262 (= H252)

2puhA Crystal structure of the s112a mutant of a c-c hydrolase, bphd from burkholderia xenovorans lb400, in complex with its substrate hopda (see paper)
38% identity, 94% coverage: 16:273/275 of query aligns to 20:283/283 of 2puhA

query
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2puhA

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V

G

G

N
|
N

S
x
A

L
x
M

G

G

A

A

I

T

A

A

I

L

K

N

L

F

A

A

L

L

D

E

Q

Y

P

P

Q

D

R

R

I

I

S

G

R

K

L

L

V

I

L

L

M

M

A

G

P

P

G

G

L

L

M

G

E

P

K

S

E

M

Q

F

Y

A

Y

P

L

M

Q

P

M

M

E

E

G

G

I
|
I

Q

K

K

L

M

L

G

F

A

K

A

L

F

Y

A

A

K

E

G

P

E

S

L

Y

N

E

D

T

A

-

G

-

M

L

R

K

R

Q

L

M

L

L

A

Q

L

V

Q
x
F

L

L

F

Y

D

D

E

Q

T

S

L

L

I

I

S

T

D

E

E

E

T

L

V

L

N

Q

E

G

R
|
R

V

W

A

E

V

A

V

I

K

Q

Q

R

Q

Q

P

P

V

E

-

H

-

L

-

K

-

N

C

F

V

L

L

I

S

S

T

A

M

Q

Q

K

V

A

P

P

-
x
L

-

S

-

T

-
x
W

N

D

M

V

T

T

S

A

R

R

L

L

G

G

E

E

L

I

Q

K

C

A

P

K

I

T

L

F

G

I

F

T

W

W

G

G

M

R

N

D

D
|
D

K

R

F

F

C
x
V

P

P

S

L

S

D

G

H

A

G

Q

L

T

K

M

L

L

L

E

W

H

N

C

I

T

D

Q

D

I

A

R

R

F

L

V

H

M

V

L

F

S

S

E

K

C

C

G

G

H
|
H

W
|
W

V

A

Q

Q

V

W

E

E

H

H

R

A

D

D

F

E

F

F

N

N

R

R

Q

L

C

V

L

I

A

D

F

F

F

L

Q

R

E

H

A

A

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R185), D234 (= D224), H262 (= H252), W263 (= W253)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G34), G39 (≠ S35), G40 (= G36), N108 (= N103), A109 (≠ S104), M110 (≠ L105), I150 (= I145), F172 (≠ Q170), R187 (= R185), L210 (vs. gap), W213 (vs. gap), V237 (≠ C227), H262 (= H252), W263 (= W253)

2pujA Crystal structure of the s112a/h265a double mutant of a c-c hydrolase, bphd from burkholderia xenovorans lb400, in complex with its substrate hopda (see paper)
38% identity, 94% coverage: 16:273/275 of query aligns to 20:283/283 of 2pujA

query
sites
2pujA

L

F

Q

N

L

I

H

H

Y

Y

K

N

D

E

T

A

G

G

N

N

G

G

E

E

P

T

V

V

I

I

F

M

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

G

G

G

H

W

S

S

N

N

F

Y

K

Y

Q

R

N

N

Y

V

P

G

L

P

F

F

T

V

E

D

A

A

G

G

Y

Y

R

R

V

V

I

I

V

L

P

K

D

D

L

S

P

P

G

G

Y

F

G

N

A

K

S

S

D

D

K

A

P

V

D

V

T

M

L

D

Y

E

T

Q

L

R

D

G

F

L

F

V

V

N

A

A

-

R

A

A

L

V

S

K

G

G

L

L

L

M

D

D

A

A

L

L

D

D

I

I

Q

D

R

R

C

A

V

H

L

L

V

V

G

G

N
|
N

S
x
A

L
x
M

G

G

A

A

I

T

A

A

I

L

K

N

L

F

A

A

L

L

D

E

Q

Y

P

P

Q

D

R

R

I

I

S

G

R

K

L

L

V

I

L

L

M

M

A

G

P

P

G
|
G

G

G

L

L

M

G

E

P

K

S

E

M

Q

F

Y

A

Y

P

L

M

Q

P

M

M

E

E

G

G

I
|
I

Q

K

K

L

M
x
L

G

F

A

K

A

L

F

Y

A

A

K

E

G

P

E

S

L

Y

N

E

D

T

A

-

G

-

M

L

R

K

R

Q

L

M

L

L

A

Q

L

V

Q
x
F

L

L

F

Y

D

D

E

Q

T

S

L

L

I

I

S

T

D

E

E

E

T

L

V

L

N

Q

E

G

R
|
R

V

W

A

E

V

A

V

I

K

Q

Q

R

Q

Q

P

P

V

E

-

H

-

L

-

K

-

N

C

F

V

L

L

I

S

S

T

A

M

Q

Q

K

V

A

P

P

-

L

-

S

-

T

-

W

N

D

M

V

T

T

S

A

R

R

L

L

G

G

E

E

L

I

Q

K

C

A

P

K

I

T

L

F

G

I

F

T

W

W

G

G

M

R

N

D

D
|
D

K

R

F

F

C
x
V

P

P

S

L

S

D

G

H

A

G

Q

L

T

K

M

L

L

L

E

W

H

N

C

I

T

D

Q

D

I

A

R

R

F

L

V

H

M

V

L

F

S

S

E

K

C

C

G

G

H
x
A

W
|
W

V

A

Q

Q

V

W

E

E

H

H

R

A

D

D

F

E

F

F

N

N

R

R

Q

L

C

V

L

I

A

D

F

F

F

L

Q

R

E

H

A

A

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R185), D234 (= D224), A262 (≠ H252), W263 (= W253)
binding (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G34), G39 (≠ S35), G40 (= G36), A109 (≠ S104), M110 (≠ L105), G135 (= G130), I150 (= I145), L153 (≠ M148), F172 (≠ Q170), R187 (= R185), V237 (≠ C227)

P9WNH5 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase; 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase; HOPDA hydrolase; Meta-cleavage product hydrolase; MCP hydrolase; EC 3.7.1.17; EC 3.7.1.8 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
34% identity, 94% coverage: 16:274/275 of query aligns to 24:291/291 of P9WNH5

query
sites
P9WNH5

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S

G

G

G

P

P

G

G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N

N

S
|
S

L

L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R

R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D

D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H

H

W

W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

Q

G

E

G

A

G

R

R

S114 (= S104) mutation to A: Reduces the hydrolase activity.

7zm4A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc31 (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 7zm4A

query
sites
7zm4A

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G

G

P

P

G

G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N

N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A
x
S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R

R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D

D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W

W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

binding undecyl dihydrogen phosphate: G38 (= G34), G39 (≠ S35), S108 (= S104), L109 (= L105), S156 (≠ A153), H263 (= H252)

7zm3A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc17 (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 7zm3A

query
sites
7zm3A

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S
x
G

G

G

P

P

G

G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N

N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R

R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D

D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W

W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

binding hexadecyl dihydrogen phosphate: G39 (≠ S35), S108 (= S104), L109 (= L105), H263 (= H252)

7zm2A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc8b (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 7zm2A

query
sites
7zm2A

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S
x
G

G

G

P

P

G

G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N

N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R

R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D

D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W

W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

binding methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid: G39 (≠ S35), S108 (= S104), L109 (= L105), H263 (= H252)

7zm1A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc7b (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 7zm1A

query
sites
7zm1A

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G

G

P

P

G

G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N

N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G
|
G

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A
x
S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R

R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-
x
F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D

D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W

W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

binding methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid: G38 (= G34), G39 (≠ S35), S108 (= S104), L109 (= L105), G134 (= G130), S156 (≠ A153), F206 (vs. gap), H263 (= H252)

5jzsB Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 5jzsB

query
sites
5jzsB

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G
|
G

I
x
V

Q

K

K

R

M
x
L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F
x
V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding 3,5-dichloro-4-hydroxybenzoic acid: G39 (≠ S35), S108 (= S104), G148 (= G144), V149 (≠ I145), L152 (≠ M148), V237 (≠ F226)

5jz9A Crystal structure of hsad bound to 3,5-dichloro-4- hydroxybenzenesulphonic acid (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/284 of 5jz9A

query
sites
5jz9A

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G
|
G

I

V

Q

K

K

R

M
x
L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L
x
F

L

L

A

R

L

V

Q
x
M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F
x
V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid: G38 (= G34), G39 (≠ S35), G40 (= G36), S108 (= S104), G148 (= G144), L152 (≠ M148), F167 (≠ L166), M171 (≠ Q170), V237 (≠ F226), H263 (= H252), W264 (= W253)

5jzbA Crystal structure of hsad bound to 3,5-dichlorobenzene sulphonamide (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/282 of 5jzbA

query
sites
5jzbA

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
|
S

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G
|
G

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M
x
L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F

V

C
x
N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding 3,5-dichlorobenzene-1-sulfonamide: G39 (≠ S35), G40 (= G36), S108 (= S104), L109 (= L105), G134 (= G130), L152 (≠ M148), N238 (≠ C227)

2wugA Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopda (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/283 of 2wugA

query
sites
2wugA

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
x
A

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M

L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-
x
M

-

G

-

K

-

S

-

F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G34), G39 (≠ S35), G40 (= G36), A108 (≠ S104), L109 (= L105), M202 (vs. gap), H263 (= H252), W264 (= W253)

2wufB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with 4,9dsha (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/282 of 2wufB

query
sites
2wufB

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
x
A

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I

V

Q

K

K

R

M
x
L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-

M

-

G

-

K

-

S

-
x
F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F

V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding (3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate: G38 (= G34), G39 (≠ S35), G40 (= G36), A108 (≠ S104), L109 (= L105), L152 (≠ M148), F206 (vs. gap), H263 (= H252), W264 (= W253)

2wueB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopoda (see paper)
34% identity, 93% coverage: 16:270/275 of query aligns to 18:281/282 of 2wueB

query
sites
2wueB

L

L

Q

K

L

L

H

H

Y

Y

K

H

D

E

-

A

-

G

T

V

G

G

N

N

G

D

E

Q

P

T

V

V

I

V

F

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

H

W

S

T

N

N

F

F

K

S

Q

R

N

N

Y

I

P

A

L

V

F

L

T

A

E

R

A

H

G

-

Y

F

R

H

V

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

A

H

S

S

D

D

K

K

P

R

D

A

T

E

L

H

Y

G

T

Q

L

F

D

N

F

R

F

Y

V

A

A

A

-

M

A

A

L

L

S

K

G

G

L

L

L

F

D

D

A

Q

L

L

D

G

I

L

Q

G

R

R

C

V

V

P

L

L

V

V

G

G

N
|
N

S
x
A

L
|
L

G

G

A

G

I

T

A

A

I

V

K

R

L

F

A

A

L

L

D

D

Q

Y

P

P

Q

A

R

R

I

A

S

G

R

R

L

L

V

V

L

L

M

M

A

G

P

P

G

G

L

L

M

S

E

I

K

N

E

L

Q

F

Y

A

Y

P

L

D

Q

P

M

T

E

E

G

G

I
x
V

Q

K

K

R

M
x
L

G

-

A

S

A

K

F

F

A

S

K

V

G

A

E

P

L

T

N

R

D

E

A

-

G

N

M

L

R

E

R

A

L

F

L

L

A

R

L

V

Q

M

L

V

F

Y

D

D

E

K

T

N

L

L

I

I

S

T

D

P

E

E

T

L

V

V

N

D

E

Q

R
|
R

V

F

A

A

V

L

V

A

K

-

Q

S

Q

T

P

P

V

E

C

S

V

L

L

T

S

A

T

T

-

R

-

A

-
x
M

-

G

-

K

-

S

-
x
F

-

A

-

G

-

A

-

D

M

F

Q

E

V

A

P

G

N

M

M

M

T

W

S

R

R

E

L

V

G

Y

E

R

L

L

Q

R

C

Q

P

P

I

V

L

L

G

L

F

I

W

W

G

G

M

R

N

E

D
|
D

K

R

F
x
V

C

N

P

P

S

L

S

D

G

G

A

A

Q

L

T

V

M

A

L

L

E

K

H

T

C

I

T

P

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

Q

C

C

G

G

H
|
H

W
|
W

V

V

Q

Q

V

V

E

E

H

K

R

F

D

D

F

E

F

F

N

N

R

K

Q

L

C

T

L

I

A

E

F

F

F

L

active site: G39 (≠ S35), G40 (= G36), G42 (= G38), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R185), D235 (= D224), H263 (= H252), W264 (= W253)
binding (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate: G38 (= G34), G39 (≠ S35), G40 (= G36), A108 (≠ S104), L109 (= L105), V149 (≠ I145), L152 (≠ M148), M202 (vs. gap), F206 (vs. gap), V237 (≠ F226), H263 (= H252)

P77044 2-hydroxy-6-oxononadienedioate/2-hydroxy-6-oxononatrienedioate hydrolase; 2-hydroxy-6-ketonona-2,4-diene-1,9-dioic acid 5,6-hydrolase; 2-hydroxy-6-oxonona-2,4,7-triene-1,9-dioic acid 5,6-hydrolase; 2-hydroxy-6-oxonona-2,4-diene-1,9-dioic acid 5,6-hydrolase; EC 3.7.1.14 from Escherichia coli (strain K12) (see 3 papers)
31% identity, 93% coverage: 16:270/275 of query aligns to 24:285/288 of P77044

query
sites
P77044

L

L

Q

R

L

I

H

H

Y

F

K

N

D

D

T

C

G

G

N

Q

G

G

-

D

E

E

P

T

V

V

I

V

F

L

I

L

H

H

G

G

S
|
S

G

G

P

P

G

G

A

A

S

T

G

G

H

W

S

A

N

N

F

F

K

S

Q

R

N

N

Y

I

P

D

L

P

F

L

T

V

E

E

A

A

G

G

Y

Y

R

R

V

V

I

I

V

L

P

L

D

D

L

C

P

P

G

G

Y

W

G

G

A

K

S

S

D

D

K

S

-

V

P

V

D

N

T

S

L

G

Y

S

T

R

L

S

D

D

F

L

F

N

V

A

A

R

A

I

L

L

S

K

G

S

L

V

D

D

A

Q

L

L

D

D

I

I

Q

A

R

K

C

I

V

H

L

L

V

L

G

G

N
|
N

S
|
S

L

M

G

G

A
x
H

I

S

A

S

I

V

K

A

L

F

A

T

L

L

D

K

Q

W

P

P

Q

E

R

R

I

V

S

G

R

K

L

L

V

V

L

L

M

M

A

G

P

G

G

G

G

T

L

G

M

G

E

M

K

S

E

L

Q

F

Y

T

Y

P

L

M

Q

P

M

T

E

E

G

G

I

I

Q

K

K

R

M

L

G

N

A

Q

A

L

F

Y

A

R

K

Q

G

P

E

T

L

I

N

E

D

N

A

-

G

-

M

L

R

K

R

L

L

M

A

D

L

I

Q
x
F

L

V

F

F

D

D

E

T

T

S

L

D

I

L

S

T

D

D

E

A

T

L

V

F

N

E

E

A

R
|
R

V

L

A

N

V

N

V

M

K

L

Q

S

Q

R

-

R

-

D

-

H

-

L

-

E

-

N

-

F

-

V

P

K

V

S

C

L

V

E

L

A

S

N

T

P

M

K

Q

Q

V

F

P

P

N

D

M

F

T

G

S

P

R

R

L

L

G

A

E

E

L

I

Q

K

C

A

P

Q

I

T

L

L

G

I

F

V

W

W

G

G

M

R

N

N

D

D

K

R

F

F

C

V

P

P

S

M

S

D

G

A

A

G

Q

L

T

R

M

L

L

L

E

S

H

G

C

I

T

A

Q

G

I

S

R

E

F

L

V

H

M

I

L

F

S

R

E

D

C
|
C

G

G

H
|
H

W
|
W

V

A

Q

Q

V

W

E

E

H

H

R

A

D

D

F

A

F

F

N

N

R

Q

Q

L

C

V

L

L

A

N

F

F

F

L

S44 (= S35) mutation to A: 2-fold decrease in catalytic efficiency and more than 5-fold increase in affinity for the natural substrate.
N113 (= N103) mutation to A: 200-fold decrease in catalytic activity and almost 2-fold increase in affinity.; mutation to H: 350-fold decrease in catalytic activity and almost 2-fold increase in affinity.
S114 (= S104) Transition state stabilizer; mutation to A: Weakly active. 3-fold decrease in affinity. Fast ketonisation and slow C-C cleavage.; mutation to G: Weakly active. 3-fold decrease in affinity. Fast ketonisation and slow C-C cleavage.
H118 (≠ A108) mutation to A: More than 2-fold decrease in catalytic efficiency and 3-fold increase affinity.
F177 (≠ Q170) mutation to D: 100-fold decrease in catalytic activity.; mutation to G: 4-fold and 8-fold decrease in catalytic activity and affinity, respectively.
R192 (= R185) Catalytic role in ketonization of the dienol substrate (substrate destabilization); mutation to K: 40-fold and 5-fold decrease in catalytic activity and affinity, respectively.; mutation to Q: 280-fold and 10-fold decrease in catalytic activity and affinity, respectively.
C265 (= C250) mutation to A: 2-fold decrease in catalytic activity and almost 2-fold increase in affinity.
H267 (= H252) active site, Proton acceptor; mutation to A: Weakly active, 1000-fold decrease in catalytic efficiency. Very slow ketonisation and C-C cleavage.
W268 (= W253) mutation to G: 10-fold and 20-fold decrease in catalytic activity and affinity, respectively.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1ukaA Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with (s)-2-methylbutyrate (see paper)
32% identity, 95% coverage: 12:273/275 of query aligns to 9:271/271 of 1ukaA

query
sites
1ukaA

L

L

P

A

D

A

G

G

L

V

Q

L

L

T

H

N

Y

Y

K

H

D

D

T

V

G

G

N

E

G

G

E

Q

P

P

V

V

I

I

F

L

I

I

H

H

G

G

S
|
S

G
|
G

P

P

G
|
G

A

V

S

S

G

A

H

Y

S

A

N

N

F

W

K

R

Q

L

N

T

Y

I

P

P

L

A

F

L

T

S

E

K

A

F

G

-

Y

Y

R

R

V

V

I

I

V

A

P

P

D

D

L

M

P

V

G

G

Y

F

G

G

A

F

S

T

D

D

K

R

P

P

D

E

T

N

L

Y

-

N

Y

Y

T

S

L

K

D

D

F

S

F

W

V

V

A

D

A

H

L

I

S

I

G

G

L

I

L

M

D

D

A

A

L

L

D

E

I

I

Q

E

R

K

C

A

V

H

L

I

V

V

G

G

N
|
N

S
x
A

L
x
F

G

G

A

G

I

L

A

A

I

I

K

A

L

T

A

A

L

L

D

R

Q

Y

P

S

Q

E

R

R

I

V

S

D

R

R

L

M

V

V

L

L

M

M

A
x
G

P

A

G

A

G

G

L

-

M

-

E

-

K

-

E

-

Q

-

Y

-

L

T

Q

R

M

F

E

D

G

V

I

T

Q

E

K

G

M

L

G

N

A

A

A
x
V

F
x
W

A

-

K

-

G

G

E

Y

L

T

N

P

D

S

A

I

A

E

G

N

M

M

R

R

R

N

L

L

A

D

L

I

Q

F

L

A

F

Y

D

D

E

R

T

S

L

L

I

V

S

T

D

D

E

E

T

L

V

A

N

R

E

L

R
|
R

V

Y

A

E

V

A

V

S

K

I

Q

Q

Q

P

P

G

V

F

C

Q

V

E

L

S

S
x
F

T

S

M

S

Q

M

V

F

P

P

N

E

M

P

T

R

S

Q

R

R

-

W

-

I

-

D

-

A

-

L

-

A

-

S

-

D

-

E

-

D

L

I

G

K

E

T

L

L

Q

P

C

N

P

E

I

T

L

L

G

I

F

I

W

H

G

G

M

R

N

E

D
|
D

K

Q

F
x
V

C

V

P

P

S

L

S

S

G

S

A

S

Q

L

T

R

M

L

L

G

E

E

H

L

C

I

T

D

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

R

C

C

G

G

H
|
H

W
|
W

V

T

Q

Q

V

I

E

E

H

Q

R

T

D

D

F

R

F

F

N

N

R

R

Q

L

C

V

L

V

A

E

F

F

Q

N

E

E

A

A

active site: S32 (= S35), G33 (= G36), G35 (= G38), N100 (= N103), A101 (≠ S104), F102 (≠ L105), G125 (≠ A128), V140 (≠ A151), R172 (= R185), F185 (≠ S198), D222 (= D224), H250 (= H252), W251 (= W253)
binding 2-methylbutanoic acid: S32 (= S35), A101 (≠ S104), F102 (≠ L105), W141 (≠ F152), V224 (≠ F226), H250 (= H252)

1uk9A Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with isovalerate (see paper)
32% identity, 95% coverage: 12:273/275 of query aligns to 9:271/271 of 1uk9A

query
sites
1uk9A

L

L

P

A

D

A

G

G

L

V

Q

L

L

T

H

N

Y

Y

K

H

D

D

T

V

G

G

N

E

G

G

E

Q

P

P

V

V

I

I

F

L

I

I

H

H

G

G

S
|
S

G
|
G

P

P

G
|
G

A

V

S

S

G

A

H

Y

S

A

N

N

F

W

K

R

Q

L

N

T

Y

I

P

P

L

A

F

L

T

S

E

K

A

F

G

-

Y

Y

R

R

V

V

I

I

V

A

P

P

D

D

L

M

P

V

G

G

Y

F

G

G

A

F

S

T

D

D

K

R

P

P

D

E

T

N

L

Y

-

N

Y

Y

T

S

L

K

D

D

F

S

F

W

V

V

A

D

A

H

L

I

S

I

G

G

L

I

L

M

D

D

A

A

L

L

D

E

I

I

Q

E

R

K

C

A

V

H

L

I

V

V

G

G

N
|
N

S
x
A

L
x
F

G

G

A

G

I

L

A

A

I

I

K

A

L

T

A

A

L

L

D

R

Q

Y

P

S

Q

E

R

R

I

V

S

D

R

R

L

M

V

V

L

L

M

M

A
x
G

P

A

G

A

G

G

L

-

M

-

E

-

K

-

E

-

Q

-

Y

-

L

T

Q

R

M

F

E

D

G

V

I

T

Q

E

K

G

M

L

G

N

A

A

A
x
V

F
x
W

A

-

K

-

G

G

E

Y

L

T

N

P

D

S

A

I

A

E

G

N

M

M

R

R

R

N

L

L

A

D

L

I

Q

F

L

A

F

Y

D

D

E

R

T

S

L

L

I

V

S

T

D

D

E

E

T

L

V

A

N

R

E

L

R
|
R

V

Y

A

E

V

A

V

S

K

I

Q

Q

Q

P

P

G

V

F

C

Q

V

E

L

S

S
x
F

T

S

M

S

Q

M

V

F

P

P

N

E

M

P

T

R

S

Q

R

R

-

W

-

I

-

D

-

A

-

L

-

A

-

S

-

D

-

E

-

D

L

I

G

K

E

T

L

L

Q

P

C

N

P

E

I

T

L

L

G

I

F

I

W

H

G

G

M

R

N

E

D
|
D

K

Q

F

V

C

V

P

P

S

L

S

S

G

S

A

S

Q

L

T

R

M

L

L

G

E

E

H

L

C

I

T

D

Q

R

I

A

R

Q

F

L

V

H

M

V

L

F

S

G

E

R

C

C

G

G

H
|
H

W
|
W

V

T

Q

Q

V

I

E

E

H

Q

R

T

D

D

F

R

F

F

N

N

R

R

Q

L

C

V

L

V

A

E

F

F

Q

N

E

E

A

A

active site: S32 (= S35), G33 (= G36), G35 (= G38), N100 (= N103), A101 (≠ S104), F102 (≠ L105), G125 (≠ A128), V140 (≠ A151), R172 (= R185), F185 (≠ S198), D222 (= D224), H250 (= H252), W251 (= W253)
binding isovaleric acid: S32 (= S35), A101 (≠ S104), F102 (≠ L105), W141 (≠ F152), H250 (= H252)

Query Sequence

>PfGW456L13_2503 FitnessBrowser__pseudo13_GW456_L13:PfGW456L13_2503
MGASAQGHFVTLPDGLQLHYKDTGNGEPVIFIHGSGPGASGHSNFKQNYPLFTEAGYRVI
VPDLPGYGASDKPDTLYTLDFFVAALSGLLDALDIQRCVLVGNSLGGAIAIKLALDQPQR
ISRLVLMAPGGLMEKEQYYLQMEGIQKMGAAFAKGELNDAAGMRRLLALQLFDETLISDE
TVNERVAVVKQQPVCVLSTMQVPNMTSRLGELQCPILGFWGMNDKFCPSSGAQTMLEHCT
QIRFVMLSECGHWVQVEHRDFFNRQCLAFFQEARG

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