SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_079650438.1 NCBI__GCF_900167915.1:WP_079650438.1 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)

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)
43% identity, 94% coverage: 19:277/277 of query aligns to 27:286/286 of P47229

query
sites
P47229

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A

S112 (= S104) mutation to A: Catalyzes the tautomerisation of HOPDA. Extremely low hydrolase activity; when associated with A-265.
H265 (= H256) 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)
43% identity, 94% coverage: 19:277/277 of query aligns to 26:285/285 of 2og1A

query
sites
2og1A

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active site: G41 (= G34), G42 (= G35), G44 (= G37), N110 (= N103), S111 (= S104), M112 (≠ L105), L155 (≠ M146), R189 (= R182), A207 (≠ G199), D236 (= D228), H264 (= H256), W265 (= W257)
binding glycerol: Y52 (≠ R45), E184 (≠ D177)

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)
40% identity, 96% coverage: 10:274/277 of query aligns to 18:287/291 of P9WNH5

query
sites
P9WNH5

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

5jzbA Crystal structure of hsad bound to 3,5-dichlorobenzene sulphonamide (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/282 of 5jzbA

query
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5jzbA

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active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichlorobenzene-1-sulfonamide: G39 (= G34), G40 (= G35), S108 (= S104), L109 (= L105), G134 (= G130), L152 (≠ M146), N238 (≠ L231)

7zm4A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc31 (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 7zm4A

query
sites
7zm4A

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D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M

L

L

S

H

K

F

F

Y

-

E

-

G
x
S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R

R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D

D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W

W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

binding undecyl dihydrogen phosphate: G38 (= G33), G39 (= G34), S108 (= S104), L109 (= L105), S156 (≠ G152), H263 (= H256)

7zm3A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc17 (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 7zm3A

query
sites
7zm3A

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G

G

G
|
G

G

G

P

P

G

G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N

N

S
|
S

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M

L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R

R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D

D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W

W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

binding hexadecyl dihydrogen phosphate: G39 (= G34), S108 (= S104), L109 (= L105), H263 (= H256)

7zm2A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc8b (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 7zm2A

query
sites
7zm2A

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G

G

G
|
G

G

G

P

P

G

G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N

N

S
|
S

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M

L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R

R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D

D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W

W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

binding methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid: G39 (= G34), S108 (= S104), L109 (= L105), H263 (= H256)

7zm1A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc7b (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 7zm1A

query
sites
7zm1A

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G
|
G

G

G

P

P

G

G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N

N

S
|
S

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G
|
G

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M

L

L

S

H

K

F

F

Y

-

E

-

G
x
S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R

R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A
x
F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D

D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W

W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

binding methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid: G38 (= G33), G39 (= G34), S108 (= S104), L109 (= L105), G134 (= G130), S156 (≠ G152), F206 (≠ A202), H263 (= H256)

5jzsB Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 5jzsB

query
sites
5jzsB

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G

G

G
|
G

P

P

G
|
G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N
|
N

S
|
S

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G
|
G

L
x
V

L

K

R

R

M
x
L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R
|
R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D
|
D

R

R

V
|
V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W
|
W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichloro-4-hydroxybenzoic acid: G39 (= G34), S108 (= S104), G148 (= G142), V149 (≠ L143), L152 (≠ M146), V237 (= V230)

5jz9A Crystal structure of hsad bound to 3,5-dichloro-4- hydroxybenzenesulphonic acid (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/284 of 5jz9A

query
sites
5jz9A

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N
|
N

S
|
S

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G
|
G

L

V

L

K

R

R

M
x
L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V
x
F

L

L

D

R

L

V

L
x
M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R
|
R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D
|
D

R

R

V
|
V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W
|
W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), S108 (= S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid: G38 (= G33), G39 (= G34), G40 (= G35), S108 (= S104), G148 (= G142), L152 (≠ M146), F167 (≠ V163), M171 (≠ L167), V237 (= V230), H263 (= H256), W264 (= W257)

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)
42% identity, 94% coverage: 19:277/277 of query aligns to 24:283/283 of 2rhwA

query
sites
2rhwA

Y

Y

V

N

E

E

Q

A

G

G

E

N

G

G

E

E

P

T

L

V

I

I

A

M

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

G

G

G

I

W

S

S

N

N

Y

Y

R

Y

R

R

N

N

V

V

G

G

P

P

L

F

A

V

A

D

G

A

G

G

R

Y

R

R

I

V

I

I

V

L

P

K

D

D

L

S

P

P

G

G

Y

F

G

N

D

K

S

S

P

D

S

A

Q

V

P

V

T

M

A

D

E

E

A

Q

I

R

Y

G

D

L

G

V

F

N

A

A

D

R

N

A

I

V

L

K

G

G

L

L

M

M

D

D

A

A

L

L

A

D

I

I

E

D

K

R

A

A

S

H

F

L

I

V

G

G

N
|
N

S
x
A

L
x
M

G

G

G

A

T

T

T

A

L

L

S

N

L

F

A

A

L

L

R

E

H

Y

P

P

H

D

R

R

V

I

N

G

R

K

M

L

V

I

L

L

M

M

G

G

P

P

G
|
G

G

G

-

L

G

G

Y

P

S

S

L

M

-

F

S

A

P

P

H

M

P

P

T

M

E

E

G

G

L
x
I

L

K

R

L

M

L

L

F

H

K

F

L

Y

Y

E

A

G

E

E

-

G

-

P

P

T

S

R

Y

E

E

K

T

L

L

D

K

R

Q

V

M

L

L

D

Q

L

V

L
x
F

V

L

F

Y

D

D

R

Q

S

S

M

L

I

I

T

T

P

E

D

E

L

L

V

L

E

Q

E

G

R
|
R

Y

W

K

E

A

A

C

I

V

Q

R

R

-

Q

P

P

D

E

T

H

M

L

A

K

N

N

P

F

P

L

L

I

R

S

G

A

R

Q

G

K

A

A

N

P

P
x
L

R

S

D

T

D

W

L

D

W

V

R

T

Q

A

P

R

L

L

N

G

E

E

L

I

Q

K

H

A

R

K

T

T

L

F

I

I

I

T

W

W

G

G

R

R

E

D

D
|
D

R

R

V
x
F

L
x
V

S

P

F

L

D

D

N

H

A

G

L

L

V

K

F

L

L

L

K

W

S

N

I

I

P

D

N

D

A

A

E

R

L

L

H

H

V

V

F

F

P

S

K

K

T

C

G

G

H
|
H

W
|
W

V

A

Q

Q

W

W

E

E

R

H

A

A

D

D

Q

E

F

F

N

N

D

R

M

L

V

V

N

I

D

D

F

F

L

L

D

R

R

H

A

A

active site: G39 (= G34), G40 (= G35), G42 (= G37), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R182), D234 (= D228), H262 (= H256), W263 (= W257)
binding 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid: G38 (= G33), G39 (= G34), G40 (= G35), A109 (≠ S104), M110 (≠ L105), G135 (= G130), I150 (≠ L143), F172 (≠ L167), L210 (≠ P204), F236 (≠ V230), V237 (≠ L231), H262 (= H256)

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)
42% identity, 94% coverage: 19:277/277 of query aligns to 24:283/283 of 2rhtA

query
sites
2rhtA

Y

Y

V

N

E

E

Q

A

G

G

E

N

G

G

E

E

P

T

L

V

I

I

A

M

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

G

G

G

I

W

S

S

N

N

Y

Y

R

Y

R

R

N

N

V

V

G

G

P

P

L

F

A

V

A

D

G

A

G

G

R

Y

R

R

I

V

I

I

V

L

P

K

D

D

L

S

P

P

G

G

Y

F

G

N

D

K

S

S

P

D

S

A

Q

V

P

V

T

M

A

D

E

E

A

Q

I

R

Y

G

D

L

G

V

F

N

A

A

D

R

N

A

I

V

L

K

G

G

L

L

M

M

D

D

A

A

L

L

A

D

I

I

E

D

K

R

A

A

S

H

F

L

I

V

G

G

N
|
N

S
x
A

L
x
M

G

G

G

A

T

T

T

A

L

L

S

N

L

F

A

A

L

L

R

E

H

Y

P

P

H

D

R

R

V

I

N

G

R

K

M

L

V

I

L

L

M

M

G

G

P

P

G

G

-

L

G

G

Y

P

S

S

L

M

-

F

S

A

P

P

H

M

P

P

T

M

E

E

G

G

L
x
I

L

K

R

L

M
x
L

L

F

H

K

F

L

Y

Y

E

A

G

E

E

-

G

-

P

P

T

S

R

Y

E

E

K

T

L

L

D

K

R

Q

V

M

L

L

D

Q

L

V

L
x
F

V

L

F

Y

D

D

R

Q

S

S

M

L

I

I

T

T

P

E

D

E

L

L

V

L

E

Q

E

G

R
|
R

Y

W

K

E

A

A

C

I

V

Q

R

R

-

Q

P

P

D

E

T

H

M

L

A

K

N

N

P

F

P

L

L

I

R

S

G

A

R

Q

G

K

A

A

N

P

P

L

R

S

D

T

D

W

L

D

W

V

R

T

Q

A

P

R

L

L

N

G

E

E

L

I

Q

K

H

A

R

K

T

T

L

F

I

I

I

T

W

W

G

G

R

R

E

D

D
|
D

R

R

V
x
F

L
x
V

S

P

F

L

D

D

N

H

A

G

L

L

V

K

F

L

L

L

K

W

S

N

I

I

P

D

N

D

A

A

E

R

L

L

H

H

V

V

F

F

P

S

K

K

T

C

G

G

H
|
H

W
|
W

V

A

Q

Q

W

W

E

E

R

H

A

A

D

D

Q

E

F

F

N

N

D

R

M

L

V

V

N

I

D

D

F

F

L

L

D

R

R

H

A

A

active site: G39 (= G34), G40 (= G35), G42 (= G37), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R182), D234 (= D228), H262 (= H256), W263 (= W257)
binding (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G33), G39 (= G34), G40 (= G35), A109 (≠ S104), M110 (≠ L105), I150 (≠ L143), L153 (≠ M146), F172 (≠ L167), R187 (= R182), F236 (≠ V230), V237 (≠ L231), H262 (= H256)

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)
42% identity, 94% coverage: 19:277/277 of query aligns to 24:283/283 of 2puhA

query
sites
2puhA

Y

Y

V

N

E

E

Q

A

G

G

E

N

G

G

E

E

P

T

L

V

I

I

A

M

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

G

G

G

I

W

S

S

N

N

Y

Y

R

Y

R

R

N

N

V

V

G

G

P

P

L

F

A

V

A

D

G

A

G

G

R

Y

R

R

I

V

I

I

V

L

P

K

D

D

L

S

P

P

G

G

Y

F

G

N

D

K

S

S

P

D

S

A

Q

V

P

V

T

M

A

D

E

E

A

Q

I

R

Y

G

D

L

G

V

F

N

A

A

D

R

N

A

I

V

L

K

G

G

L

L

M

M

D

D

A

A

L

L

A

D

I

I

E

D

K

R

A

A

S

H

F

L

I

V

G

G

N
|
N

S
x
A

L
x
M

G

G

G

A

T

T

T

A

L

L

S

N

L

F

A

A

L

L

R

E

H

Y

P

P

H

D

R

R

V

I

N

G

R

K

M

L

V

I

L

L

M

M

G

G

P

P

G

G

-

L

G

G

Y

P

S

S

L

M

-

F

S

A

P

P

H

M

P

P

T

M

E

E

G

G

L
x
I

L

K

R

L

M

L

L

F

H

K

F

L

Y

Y

E

A

G

E

E

-

G

-

P

P

T

S

R

Y

E

E

K

T

L

L

D

K

R

Q

V

M

L

L

D

Q

L

V

L
x
F

V

L

F

Y

D

D

R

Q

S

S

M

L

I

I

T

T

P

E

D

E

L

L

V

L

E

Q

E

G

R
|
R

Y

W

K

E

A

A

C

I

V

Q

R

R

-

Q

P

P

D

E

T

H

M

L

A

K

N

N

P

F

P

L

L

I

R

S

G

A

R

Q

G

K

A

A

N

P

P
x
L

R

S

D

T

D
x
W

L

D

W

V

R

T

Q

A

P

R

L

L

N

G

E

E

L

I

Q

K

H

A

R

K

T

T

L

F

I

I

I

T

W

W

G

G

R

R

E

D

D
|
D

R

R

V

F

L
x
V

S

P

F

L

D

D

N

H

A

G

L

L

V

K

F

L

L

L

K

W

S

N

I

I

P

D

N

D

A

A

E

R

L

L

H

H

V

V

F

F

P

S

K

K

T

C

G

G

H
|
H

W
|
W

V

A

Q

Q

W

W

E

E

R

H

A

A

D

D

Q

E

F

F

N

N

D

R

M

L

V

V

N

I

D

D

F

F

L

L

D

R

R

H

A

A

active site: G39 (= G34), G40 (= G35), G42 (= G37), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R182), D234 (= D228), H262 (= H256), W263 (= W257)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G33), G39 (= G34), G40 (= G35), N108 (= N103), A109 (≠ S104), M110 (≠ L105), I150 (≠ L143), F172 (≠ L167), R187 (= R182), L210 (≠ P204), W213 (≠ D207), V237 (≠ L231), H262 (= H256), W263 (= W257)

2wufB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with 4,9dsha (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/282 of 2wufB

query
sites
2wufB

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N
|
N

S
x
A

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M
x
L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R
|
R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R

M

G

G

R

K

G

S

A
x
F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D
|
D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W
|
W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
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 (= G33), G39 (= G34), G40 (= G35), A108 (≠ S104), L109 (= L105), L152 (≠ M146), F206 (≠ A202), H263 (= H256), W264 (= W257)

2wueB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopoda (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/282 of 2wueB

query
sites
2wueB

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N
|
N

S
x
A

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L
x
V

L

K

R

R

M
x
L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R
|
R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R
x
M

G

G

R

K

G

S

A
x
F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D
|
D

R

R

V
|
V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W
|
W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
binding (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate: G38 (= G33), G39 (= G34), G40 (= G35), A108 (≠ S104), L109 (= L105), V149 (≠ L143), L152 (≠ M146), M202 (≠ R198), F206 (≠ A202), V237 (= V230), H263 (= H256)

2wugA Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopda (see paper)
40% identity, 96% coverage: 10:274/277 of query aligns to 12:281/283 of 2wugA

query
sites
2wugA

V

V

Q

D

V

V

N

D

G

G

-

P

T

L

P

K

M

L

A

H

Y

Y

V

H

E

E

Q

A

G

G

E

V

G

G

-

N

-

D

E

Q

P

T

L

V

I

V

A

L

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

A

G

S

I

W

S

T

N

N

Y

F

R

S

R

R

N

N

V

I

G

A

P

V

L

L

A

A

A

R

G

H

G

-

R

F

R

H

I

V

I

L

V

A

P

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

D

H

S

S

P

D

S

K

Q

R

P

A

T

E

A

H

E

G

A

Q

I

F

Y

N

D

R

G

Y

F

A

A

A

D

M

N

A

I

L

L

K

G

G

L

L

M

F

D

D

A

Q

L

L

A

G

I

L

E

G

K

R

A

V

S

P

F

L

I

V

G

G

N
|
N

S
x
A

L
|
L

G

G

T

T

T

A

L

V

S

R

L

F

A

A

L

L

R

D

H

Y

P

P

H

A

R

R

V

A

N

G

R

R

M

L

V

V

L

L

M

M

G

G

P

P

G

G

G

L

Y

S

S

I

-

N

-

L

L

F

S

A

P

P

H

D

P

P

T

T

E

E

G

G

L

V

L

K

R

R

M

L

L

S

H

K

F

F

Y

-

E

-

G

S

E

V

G

A

P

P

T

T

R

R

E

E

K

N

L

L

D

E

R

A

V

F

L

L

D

R

L

V

L

M

V

V

F

Y

D

D

R

K

S

N

M

L

I

I

T

T

P

P

D

E

L

L

V

V

E

D

E

Q

R
|
R

Y

F

K

A

A

L

C

A

V

S

R

T

P

P

D

E

T

S

M

L

A

T

N

A

P

T

P

R

L

A

R
x
M

G

G

R

K

G

S

A

F

N

A

P

G

R

A

D

D

D

F

-

E

-

A

-

G

-

M

L

M

W

W

R

R

Q

E

P

-

L

V

N

Y

E

R

L

L

Q

R

H

Q

R

P

T

V

L

L

I

L

I

I

W

W

G

G

R

R

E

E

D
|
D

R

R

V

V

L

N

S

P

F

L

D

D

N

G

A

A

L

L

V

V

F

A

L

L

K

K

S

T

I

I

P

P

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

Q

T

C

G

G

H
|
H

W
|
W

V

V

Q

Q

W

V

E

E

R

K

A

F

D

D

Q

E

F

F

N

N

D

K

M

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (= G34), G40 (= G35), G42 (= G37), N107 (= N103), A108 (≠ S104), L109 (= L105), R186 (= R182), D235 (= D228), H263 (= H256), W264 (= W257)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G33), G39 (= G34), G40 (= G35), A108 (≠ S104), L109 (= L105), M202 (≠ R198), H263 (= H256), W264 (= W257)

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)
42% identity, 94% coverage: 19:277/277 of query aligns to 24:283/283 of 2pujA

query
sites
2pujA

Y

Y

V

N

E

E

Q

A

G

G

E

N

G

G

E

E

P

T

L

V

I

I

A

M

I

L

H

H

G
|
G

P

P

G
|
G

A

A

S

G

G

G

I

W

S

S

N

N

Y

Y

R

Y

R

R

N

N

V

V

G

G

P

P

L

F

A

V

A

D

G

A

G

G

R

Y

R

R

I

V

I

I

V

L

P

K

D

D

L

S

P

P

G

G

Y

F

G

N

D

K

S

S

P

D

S

A

Q

V

P

V

T

M

A

D

E

E

A

Q

I

R

Y

G

D

L

G

V

F

N

A

A

D

R

N

A

I

V

L

K

G

G

L

L

M

M

D

D

A

A

L

L

A

D

I

I

E

D

K

R

A

A

S

H

F

L

I

V

G

G

N
|
N

S
x
A

L
x
M

G

G

G

A

T

T

T

A

L

L

S

N

L

F

A

A

L

L

R

E

H

Y

P

P

H

D

R

R

V

I

N

G

R

K

M

L

V

I

L

L

M

M

G

G

P

P

G
|
G

G

G

-

L

G

G

Y

P

S

S

L

M

-

F

S

A

P

P

H

M

P

P

T

M

E

E

G

G

L
x
I

L

K

R

L

M
x
L

L

F

H

K

F

L

Y

Y

E

A

G

E

E

-

G

-

P

P

T

S

R

Y

E

E

K

T

L

L

D

K

R

Q

V

M

L

L

D

Q

L

V

L
x
F

V

L

F

Y

D

D

R

Q

S

S

M

L

I

I

T

T

P

E

D

E

L

L

V

L

E

Q

E

G

R
|
R

Y

W

K

E

A

A

C

I

V

Q

R

R

-

Q

P

P

D

E

T

H

M

L

A

K

N

N

P

F

P

L

L

I

R

S

G

A

R

Q

G

K

A

A

N

P

P

L

R

S

D

T

D

W

L

D

W

V

R

T

Q

A

P

R

L

L

N

G

E

E

L

I

Q

K

H

A

R

K

T

T

L

F

I

I

I

T

W

W

G

G

R

R

E

D

D
|
D

R

R

V

F

L
x
V

S

P

F

L

D

D

N

H

A

G

L

L

V

K

F

L

L

L

K

W

S

N

I

I

P

D

N

D

A

A

E

R

L

L

H

H

V

V

F

F

P

S

K

K

T

C

G

G

H
x
A

W
|
W

V

A

Q

Q

W

W

E

E

R

H

A

A

D

D

Q

E

F

F

N

N

D

R

M

L

V

V

N

I

D

D

F

F

L

L

D

R

R

H

A

A

active site: G39 (= G34), G40 (= G35), G42 (= G37), N108 (= N103), A109 (≠ S104), M110 (≠ L105), R187 (= R182), D234 (= D228), A262 (≠ H256), W263 (= W257)
binding (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G33), G39 (= G34), G40 (= G35), A109 (≠ S104), M110 (≠ L105), G135 (= G130), I150 (≠ L143), L153 (≠ M146), F172 (≠ L167), R187 (= R182), V237 (≠ L231)

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)
41% identity, 93% coverage: 19:276/277 of query aligns to 28:287/288 of P77044

query
sites
P77044

Y

F

V

N

E

D

Q

C

G

G

E

Q

G

G

-

D

E

E

P

T

L

V

I

V

A

L

I

L

H

H

G

G

G
x
S

G

G

P

P

G

G

A

A

S

T

G

G

I

W

S

A

N

N

Y

F

R

S

R

R

N

N

V

I

G

D

P

P

L

L

A

V

A

E

G

A

G

G

R

Y

R

R

I

V

I

I

V

L

P

L

D

D

L

C

P

P

G

G

Y

W

G

G

D

K

S

S

P

D

S

S

Q

V

P

V

T

N

A

S

E

G

A

S

I

R

Y

S

D

D

G

L

F

N

A

A

D

R

N

I

I

L

L

K

G

S

L

V

M

V

D

D

A

Q

L

L

A

D

I

I

E

A

K

K

A

I

S

H

F

L

I

L

G

G

N
|
N

S
|
S

L

M

G

G

G
x
H

T

S

L

V

S

A

L

F

A

T

L

L

R

K

H

W

P

P

H

E

R

R

V

V

N

G

R

K

M

L

V

V

L

L

M

M

G

G

P

G

G

G

-

T

G

G

Y

M

S

S

L

L

-

F

S

T

P

P

H

M

P

P

T

T

E

E

G

G

L

I

L

K

R

R

M

L

L

N

H

Q

F

L

Y

Y

E

-

G

-

E

R

G

Q

P

P

T

T

R

I

E

E

K

N

L

L

D

K

R

L

V

M

L

M

D

D

L

I

L
x
F

V

V

F

F

D

D

R

T

S

S

M

D

I

L

T

T

P

D

D

A

L

L

V

F

E

E

E

A

R
|
R

Y

L

K

N

A

N

C

M

V

L

-

S

R

R

P

R

D

D

T

H

M

L

A

E

N

N

P

-

P

F

L

V

R

K

G

S

R

L

G

E

A

A

N

N

P

P

R

K

D

Q

D

F

L

P

W

D

R

F

Q

G

P

P

-

R

L

L

N

A

E

E

L

I

Q

K

H

A

R

Q

T

T

L

L

I

I

I

V

W

W

G

G

R

R

E

N

D

D

R

R

V

F

L

V

S

P

F

M

D

D

N

A

A

G

L

L

V

R

F

L

L

L

K

S

S

G

I

I

P

A

N

G

A

S

E

E

L

L

H

H

V

I

F

F

P

R

K

D

T
x
C

G

G

H
|
H

W
|
W

V

A

Q

Q

W

W

E

E

R

H

A

A

D

D

Q

A

F

F

N

N

D

Q

M

L

V

V

N

L

D

N

F

F

L

L

D

A

R

R

S44 (≠ G34) 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 (≠ G108) mutation to A: More than 2-fold decrease in catalytic efficiency and 3-fold increase affinity.
F177 (≠ L167) 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 (= R182) 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 (≠ T254) mutation to A: 2-fold decrease in catalytic activity and almost 2-fold increase in affinity.
H267 (= H256) active site, Proton acceptor; mutation to A: Weakly active, 1000-fold decrease in catalytic efficiency. Very slow ketonisation and C-C cleavage.
W268 (= W257) 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)
37% identity, 97% coverage: 8:277/277 of query aligns to 6:271/271 of 1ukaA

query
sites
1ukaA

R

K

T

S

V

I

Q

L

V

A

N

A

G

G

T

V

P

L

M

T

A

N

Y

Y

V

H

E

D

Q

V

G

G

E

E

G

G

E

Q

P

P

L

V

I

I

A

L

I

I

H

H

G

G

G
x
S

G
|
G

P

P

G
|
G

A

V

S

S

G

A

I

Y

S

A

N

N

Y

W

R

R

R

L

N

T

V

I

G

-

P

P

L

A

A

L

A

S

G

K

G

F

R

Y

R

R

I

V

I

I

V

A

P

P

D

D

L

M

P

V

G

G

Y

F

G

G

D

F

S

T

P

D

S

R

Q

P

P

E

T

N

A

Y

E

N

A

Y

I

S

Y

K

D

D

G

S

F

W

A

V

D

D

N

H

I

I

L

I

G

G

L

I

M

M

D

D

A

A

L

L

A

E

I

I

E

E

K

K

A

A

S

H

F

I

I

V

G

G

N
|
N

S
x
A

L
x
F

G

G

T

L

T

A

L

I

S

A

L

T

A

A

L

L

R

R

H

Y

P

S

H

E

R

R

V

V

N

D

R

R

M

M

V

V

L

L

M

M

G
|
G

P

A

G

A

G

G

G

-

Y

-

S

-

L

T

S

R

P

F

H

D

P

V

T

T

E

E

G

G

L

L

L

N

R

A

M
x
V

L
x
W

H

-

F

-

Y

-

E

-

G

G

E

Y

G

T

P

P

T

S

R

I

E

E

K

N

L

M

D

R

R

N

V

L

L

L

D

D

L

I

L

F

V

A

F

Y

D

D

R

R

S

S

M

L

I

V

T

T

P

D

D

E

L

L

V

A

E

R

E

L

R
|
R

Y

Y

K

E

A

A

C

S

V

I

R

Q

P

P

-

G

-

F

-

Q

-

E

-

S

-
x
F

-

S

D

S

T

M

M

F

A

P

N

E

P

P

P

R

L

Q

R

R

G

W

R

I

G

D

A

A

N

L

P

A

R

S

D

S

D

D

L

-

W

-

R

-

Q

E

P

D

L

I

N

K

E

T

L

L

Q

P

H

N

R

E

T

T

L

L

I

I

W

H

G

G

R

R

E

E

D
|
D

R

Q

V
|
V

L

V

S

P

F

L

D

S

N

S

A

S

L

L

V

R

F

L

L

G

K

E

S

L

I

I

P

D

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

R

T

C

G

G

H
|
H

W
|
W

V

T

Q

Q

W

I

E

E

R

Q

A

T

D

D

Q

R

F

F

N

N

D

R

M

L

V

V

N

V

D

E

F

F

L

F

D

N

R

E

A

A

active site: S32 (≠ G34), G33 (= G35), G35 (= G37), N100 (= N103), A101 (≠ S104), F102 (≠ L105), G125 (= G128), V140 (≠ M146), R172 (= R182), F185 (vs. gap), D222 (= D228), H250 (= H256), W251 (= W257)
binding 2-methylbutanoic acid: S32 (≠ G34), A101 (≠ S104), F102 (≠ L105), W141 (≠ L147), V224 (= V230), H250 (= H256)

1uk9A Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with isovalerate (see paper)
37% identity, 97% coverage: 8:277/277 of query aligns to 6:271/271 of 1uk9A

query
sites
1uk9A

R

K

T

S

V

I

Q

L

V

A

N

A

G

G

T

V

P

L

M

T

A

N

Y

Y

V

H

E

D

Q

V

G

G

E

E

G

G

E

Q

P

P

L

V

I

I

A

L

I

I

H

H

G

G

G
x
S

G
|
G

P

P

G
|
G

A

V

S

S

G

A

I

Y

S

A

N

N

Y

W

R

R

R

L

N

T

V

I

G

-

P

P

L

A

A

L

A

S

G

K

G

F

R

Y

R

R

I

V

I

I

V

A

P

P

D

D

L

M

P

V

G

G

Y

F

G

G

D

F

S

T

P

D

S

R

Q

P

P

E

T

N

A

Y

E

N

A

Y

I

S

Y

K

D

D

G

S

F

W

A

V

D

D

N

H

I

I

L

I

G

G

L

I

M

M

D

D

A

A

L

L

A

E

I

I

E

E

K

K

A

A

S

H

F

I

I

V

G

G

N
|
N

S
x
A

L
x
F

G

G

T

L

T

A

L

I

S

A

L

T

A

A

L

L

R

R

H

Y

P

S

H

E

R

R

V

V

N

D

R

R

M

M

V

V

L

L

M

M

G
|
G

P

A

G

A

G

G

G

-

Y

-

S

-

L

T

S

R

P

F

H

D

P

V

T

T

E

E

G

G

L

L

L

N

R

A

M
x
V

L
x
W

H

-

F

-

Y

-

E

-

G

G

E

Y

G

T

P

P

T

S

R

I

E

E

K

N

L

M

D

R

R

N

V

L

L

L

D

D

L

I

L

F

V

A

F

Y

D

D

R

R

S

S

M

L

I

V

T

T

P

D

D

E

L

L

V

A

E

R

E

L

R
|
R

Y

Y

K

E

A

A

C

S

V

I

R

Q

P

P

-

G

-

F

-

Q

-

E

-

S

-
x
F

-

S

D

S

T

M

M

F

A

P

N

E

P

P

P

R

L

Q

R

R

G

W

R

I

G

D

A

A

N

L

P

A

R

S

D

S

D

D

L

-

W

-

R

-

Q

E

P

D

L

I

N

K

E

T

L

L

Q

P

H

N

R

E

T

T

L

L

I

I

W

H

G

G

R

R

E

E

D
|
D

R

Q

V

V

L

V

S

P

F

L

D

S

N

S

A

S

L

L

V

R

F

L

L

G

K

E

S

L

I

I

P

D

N

R

A

A

E

Q

L

L

H

H

V

V

F

F

P

G

K

R

T

C

G

G

H
|
H

W
|
W

V

T

Q

Q

W

I

E

E

R

Q

A

T

D

D

Q

R

F

F

N

N

D

R

M

L

V

V

N

V

D

E

F

F

L

F

D

N

R

E

A

A

active site: S32 (≠ G34), G33 (= G35), G35 (= G37), N100 (= N103), A101 (≠ S104), F102 (≠ L105), G125 (= G128), V140 (≠ M146), R172 (= R182), F185 (vs. gap), D222 (= D228), H250 (= H256), W251 (= W257)
binding isovaleric acid: S32 (≠ G34), A101 (≠ S104), F102 (≠ L105), W141 (≠ L147), H250 (= H256)

Query Sequence

>WP_079650438.1 NCBI__GCF_900167915.1:WP_079650438.1
MADGLEKRTVQVNGTPMAYVEQGEGEPLIAIHGGGPGASGISNYRRNVGPLAAGGRRIIV
PDLPGYGDSPSQPTAEAIYDGFADNILGLMDALAIEKASFIGNSLGGGTTLSLALRHPHR
VNRMVLMGPGGGYSLSPHPTEGLLRMLHFYEGEGPTREKLDRVLDLLVFDRSMITPDLVE
ERYKACVRPDTMANPPLRGRGANPRDDLWRQPLNELQHRTLIIWGREDRVLSFDNALVFL
KSIPNAELHVFPKTGHWVQWERADQFNDMVNDFLDRA

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