SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing RR42_RS31825 FitnessBrowser__Cup4G11:RR42_RS31825 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)
37% identity, 90% coverage: 21:274/282 of query aligns to 23:283/286 of P47229

query
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P47229

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S112 (= S110) 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)
37% identity, 90% coverage: 21:274/282 of query aligns to 22:282/285 of 2og1A

query
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2og1A

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active site: G41 (≠ S40), G42 (= G41), G44 (= G43), N110 (= N109), S111 (= S110), M112 (≠ L111), L155 (≠ M153), R189 (= R189), A207 (≠ T203), D236 (= D228), H264 (= H256), W265 (= W257)
binding glycerol: Y52 (≠ K51), E184 (≠ A184)

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)
36% identity, 90% coverage: 21:274/282 of query aligns to 20:280/283 of 2rhwA

query
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2rhwA

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active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N108 (= N109), A109 (≠ S110), M110 (≠ L111), R187 (= R189), D234 (= D228), H262 (= H256), W263 (= W257)
binding 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid: G38 (= G39), G39 (≠ S40), G40 (= G41), A109 (≠ S110), M110 (≠ L111), G135 (= G136), I150 (= I150), F172 (≠ L174), L210 (vs. gap), F236 (= F230), V237 (≠ N231), 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)
36% identity, 90% coverage: 21:274/282 of query aligns to 20:280/283 of 2rhtA

query
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2rhtA

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active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N108 (= N109), A109 (≠ S110), M110 (≠ L111), R187 (= R189), D234 (= D228), H262 (= H256), W263 (= W257)
binding (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G39), G39 (≠ S40), G40 (= G41), A109 (≠ S110), M110 (≠ L111), I150 (= I150), L153 (≠ M153), F172 (≠ L174), R187 (= R189), F236 (= F230), V237 (≠ N231), 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)
36% identity, 90% coverage: 21:274/282 of query aligns to 20:280/283 of 2puhA

query
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2puhA

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x
M

G

G

A

A

I

T

A

A

L

L

K

N

Y

F

A

A

L

L

D

E

Y

Y

P

P

E

D

H

R

V

I

S

G

R

K

L

L

V

I

M

L

M

M

A

G

P

P

G

G

V

L

E

G

D

-

R

-

E

P

T

S

Y

M

F

F

R

A

-

P

-

M

-

P

M

M

E

E

G

G

I
|
I

E

K

K

L

M

L

V

F

S

K

L

L

F

Y

T

-

G

-

G

A

H

E

M

P

N

S

P

Y

D

E

T

T

M

L

R

K

Q

Q

L

M

L

L

T

Q

L

V

L
x
F

V

L

H

Y

D

D

A

Q

T

S

L

L

V

I

T

T

D

E

A

E

L

L

V

L

D

Q

E

G

R
|
R

M

W

A

E

V

A

C

I

K

Q

A

R

Q

Q

P

P

R

E

E

H

V

L

-

K

-

N

-

F

-

L

L

I

A

S

T

A

M

Q

K

K

V

A

P

P

-
x
L

-

S

-

T

-
x
W

N

D

L

V

T

T

E

A

R

R

L

L

G

G

E

E

I

I

A

K

C

A

P

K

V

T

L

F

G

I

F

T

W

W

G

G

T

R

E

D

D
|
D

R

R

F

F

N
x
V

P

P

A

L

G

D

G

H

A

G

L

L

K

K

F

L

L

L

Q

W

G

N

C

I

R

D

D

D

A

A

R

R

F

L

V

H

L

V

I

F

N

S

R

K

C

C

G

G

H
|
H

W
|
W

V

A

M

Q

V

W

E

E

H

H

S

A

D

D

Y

E

F

F

N

N

R

R

E

L

C

V

L

I

G

D

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N108 (= N109), A109 (≠ S110), M110 (≠ L111), R187 (= R189), D234 (= D228), H262 (= H256), W263 (= W257)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G39), G39 (≠ S40), G40 (= G41), N108 (= N109), A109 (≠ S110), M110 (≠ L111), I150 (= I150), F172 (≠ L174), R187 (= R189), L210 (vs. gap), W213 (vs. gap), V237 (≠ N231), H262 (= H256), W263 (= 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)
36% identity, 90% coverage: 21:274/282 of query aligns to 20:280/283 of 2pujA

query
sites
2pujA

L

F

R

N

L

I

H

H

Y

Y

L

N

D

E

A

A

G

G

A

N

G

G

E

E

P

T

V

V

V

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

H

R

N

N

A

V

P

G

A

P

F

F

A

V

A

D

A

A

G

G

F

Y

R

R

T

V

V

I

V

L

V

K

D

D

L

S

P

P

G

G

Y

F

G

N

Q

K

S

S

S

D

K

A

P

V

A

V

D

M

V

D

E

E

Y

Q

T

R

L

G

D

L

F

V

F

N

V

A

A

R

A

A

L

V

R

K

A

G

Q

L

L

M

L

D

A

A

L

L

A

D

L

I

P

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

L

L

K

N

Y

F

A

A

L

L

D

E

Y

Y

P

P

E

D

H

R

V

I

S

G

R

K

L

L

V

I

M

L

M

M

A

G

P

P

G
|
G

G

G

V

L

E

G

D

-

R

-

E

P

T

S

Y

M

F

F

R

A

-

P

-

M

-

P

M

M

E

E

G

G

I
|
I

E

K

K

L

M
x
L

V

F

S

K

L

L

F

Y

T

-

G

-

G

A

H

E

M

P

N

S

P

Y

D

E

T

T

M

L

R

K

Q

Q

L

M

L

L

T

Q

L

V

L
x
F

V

L

H

Y

D

D

A

Q

T

S

L

L

V

I

T

T

D

E

A

E

L

L

V

L

D

Q

E

G

R
|
R

M

W

A

E

V

A

C

I

K

Q

A

R

Q

Q

P

P

R

E

E

H

-

L

-

K

-

N

-

F

V

L

L

I

A

S

T

A

M

Q

K

K

V

A

P

P

-

L

-

S

-

T

-

W

N

D

L

V

T

T

E

A

R

R

L

L

G

G

E

E

I

I

A

K

C

A

P

K

V

T

L

F

G

I

F

T

W

W

G

G

T

R

E

D

D
|
D

R

R

F

F

N
x
V

P

P

A

L

G

D

G

H

A

G

L

L

K

K

F

L

L

L

Q

W

G

N

C

I

R

D

D

D

A

A

R

R

F

L

V

H

L

V

I

F

N

S

R

K

C

C

G

G

H
x
A

W
|
W

V

A

M

Q

V

W

E

E

H

H

S

A

D

D

Y

E

F

F

N

N

R

R

E

L

C

V

L

I

G

D

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N108 (= N109), A109 (≠ S110), M110 (≠ L111), R187 (= R189), D234 (= D228), A262 (≠ H256), W263 (= W257)
binding (2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: G38 (= G39), G39 (≠ S40), G40 (= G41), A109 (≠ S110), M110 (≠ L111), G135 (= G136), I150 (= I150), L153 (≠ M153), F172 (≠ L174), R187 (= R189), V237 (≠ N231)

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)
37% identity, 90% coverage: 21:274/282 of query aligns to 24:287/291 of P9WNH5

query
sites
P9WNH5

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

D

I

R

-

E

-

T

N

Y

L

F

F

R

A

-

P

-

D

-

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R

R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D

D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H

H

W

W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

S114 (= S110) mutation to A: Reduces the hydrolase activity.

5jzbA Crystal structure of hsad bound to 3,5-dichlorobenzene sulphonamide (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/282 of 5jzbA

query
sites
5jzbA

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G
|
G

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M
x
L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F

V

N
|
N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), S108 (= S110), L109 (= L111), R186 (= R189), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichlorobenzene-1-sulfonamide: G39 (≠ S40), G40 (= G41), S108 (= S110), L109 (= L111), G134 (= G136), L152 (≠ M153), N238 (= N231)

7zm4A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc31 (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 7zm4A

query
sites
7zm4A

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F
x
S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R

R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D

D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W

W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

binding undecyl dihydrogen phosphate: G38 (= G39), G39 (≠ S40), S108 (= S110), L109 (= L111), S156 (≠ F157), H263 (= H256)

7zm3A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc17 (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 7zm3A

query
sites
7zm3A

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R

R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D

D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W

W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

binding hexadecyl dihydrogen phosphate: G39 (≠ S40), S108 (= S110), L109 (= L111), H263 (= H256)

7zm2A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc8b (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 7zm2A

query
sites
7zm2A

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R

R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D

D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W

W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

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 (≠ S40), S108 (= S110), L109 (= L111), H263 (= H256)

7zm1A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc7b (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 7zm1A

query
sites
7zm1A

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G
|
G

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F
x
S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R

R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-
x
F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D

D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W

W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

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 (= G39), G39 (≠ S40), S108 (= S110), L109 (= L111), G134 (= G136), S156 (≠ F157), F206 (vs. gap), H263 (= H256)

5jzsB Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 5jzsB

query
sites
5jzsB

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G
|
G

I
x
V

E

K

K

R

M
x
L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F
x
V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), S108 (= S110), L109 (= L111), R186 (= R189), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichloro-4-hydroxybenzoic acid: G39 (≠ S40), S108 (= S110), G148 (= G149), V149 (≠ I150), L152 (≠ M153), V237 (≠ F230)

5jz9A Crystal structure of hsad bound to 3,5-dichloro-4- hydroxybenzenesulphonic acid (see paper)
37% identity, 90% coverage: 21:274/282 of query aligns to 18:281/284 of 5jz9A

query
sites
5jz9A

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G
|
G

I

V

E

K

K

R

M
x
L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L
x
F

L

L

T

R

L

V

L
x
M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F
x
V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), S108 (= S110), L109 (= L111), R186 (= R189), D235 (= D228), H263 (= H256), W264 (= W257)
binding 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid: G38 (= G39), G39 (≠ S40), G40 (= G41), S108 (= S110), G148 (= G149), L152 (≠ M153), F167 (≠ L170), M171 (≠ L174), V237 (≠ F230), H263 (= H256), W264 (= W257)

2wufB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with 4,9dsha (see paper)
36% identity, 90% coverage: 21:274/282 of query aligns to 18:281/282 of 2wufB

query
sites
2wufB

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M
x
L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V

M

P

G

N

K

-

S

-
x
F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), A108 (≠ S110), L109 (= L111), R186 (= R189), 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 (= G39), G39 (≠ S40), G40 (= G41), A108 (≠ S110), L109 (= L111), L152 (≠ M153), F206 (vs. gap), H263 (= H256), W264 (= W257)

2wueB Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopoda (see paper)
36% identity, 90% coverage: 21:274/282 of query aligns to 18:281/282 of 2wueB

query
sites
2wueB

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I
x
V

E

K

K

R

M
x
L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V
x
M

P

G

N

K

-

S

-
x
F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F
x
V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), A108 (≠ S110), L109 (= L111), R186 (= R189), D235 (= D228), H263 (= H256), W264 (= W257)
binding (3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate: G38 (= G39), G39 (≠ S40), G40 (= G41), A108 (≠ S110), L109 (= L111), V149 (≠ I150), L152 (≠ M153), M202 (≠ V206), F206 (vs. gap), V237 (≠ F230), H263 (= H256)

2wugA Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopda (see paper)
36% identity, 90% coverage: 21:274/282 of query aligns to 18:281/283 of 2wugA

query
sites
2wugA

L

L

R

K

L

L

H

H

Y

Y

L

H

D

E

A

A

G

G

A

V

G

G

-

N

-

D

E

Q

P

T

V

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

H

R

N

N

A

I

P

-

A

A

F

V

A

L

A

A

A

R

G

H

F

F

R

H

T

V

V

L

V

A

V

V

D

D

L

Q

P

P

G

G

Y

Y

G

G

Q

H

S

S

S

D

K

K

P

R

A

A

D

E

V

H

E

G

Y

Q

T

F

L

N

D

R

F

Y

F

A

V

A

A

M

A

A

L

L

R

K

A

G

Q

L

L

F

L

D

A

Q

L

L

A

G

L

L

P

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

L

V

K

R

Y

F

A

A

L

L

D

D

Y

Y

P

P

E

A

H

R

V

A

S

G

R

R

L

L

V

V

M

L

M

M

A

G

P

P

G

G

V

L

E

S

-

I

D

N

R

L

E

F

T

A

Y

P

F

D

R

P

M

T

E

E

G

G

I

V

E

K

K

R

M

L

V

S

S

K

L

F

F

S

T

V

G

A

G

-

H

-

M

P

N

T

P

R

D

E

T

N

M

L

R

E

Q

A

L

F

L

L

T

R

L

V

L

M

V

V

H

Y

D

D

A

K

T

N

L

L

V

I

T

T

D

P

A

E

L

L

V

V

D

D

E

Q

R
|
R

M

F

A

A

V

L

C

A

K

-

A

S

Q

T

P

P

R

E

E

S

V

L

L

T

A

A

T

T

M

R

K

A

V
x
M

P

G

N

K

-

S

-

F

-

A

-

G

-

A

-

D

-

F

-

E

-

A

-

G

-

M

L

M

T

W

E

R

R

E

L

V

G

Y

E

R

I

L

A

R

C

Q

P

P

V

V

L

L

G

L

F

I

W

W

G

G

T

R

E

E

D
|
D

R

R

F

V

N

N

P

P

A

L

G

D

G

G

A

A

L

L

K

V

F

A

L

L

Q

K

G

T

C

I

R

P

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

Q

C

C

G

G

H
|
H

W
|
W

V

V

M

Q

V

V

E

E

H

K

S

F

D

D

Y

E

F

F

N

N

R

K

E

L

C

T

L

I

G

E

F

F

L

L

active site: G39 (≠ S40), G40 (= G41), G42 (= G43), N107 (= N109), A108 (≠ S110), L109 (= L111), R186 (= R189), D235 (= D228), H263 (= H256), W264 (= W257)
binding (3e)-2,6-dioxo-6-phenylhex-3-enoate: G38 (= G39), G39 (≠ S40), G40 (= G41), A108 (≠ S110), L109 (= L111), M202 (≠ V206), H263 (= H256), W264 (= W257)

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)
33% identity, 90% coverage: 21:275/282 of query aligns to 24:286/288 of P77044

query
sites
P77044

L

L

R

R

L

I

H

H

Y

F

L

N

D

D

A

C

G

G

A

Q

G

G

-

D

E

E

P

T

V

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

H

R

N

N

A

I

P

D

A

P

F

L

A

V

A

E

A

A

G

G

F

Y

R

R

T

V

V

I

V

L

D

D

L

C

P

P

G

G

Y

W

G

G

Q

K

S

S

S

D

K

S

P

V

A

V

D

N

V

S

E

G

Y

S

T

R

L

S

D

D

F

L

F

N

V

A

A

R

A

I

L

L

R

K

A

S

Q

V

L

V

L

D

A

Q

L

L

A

D

L

I

P

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

L

V

K

A

Y

F

A

T

L

L

D

K

Y

W

P

P

E

E

H

R

V

V

S

G

R

K

L

L

V

V

M

L

M

M

A

G

P

G

G

G

-

T

G

G

V

G

E

M

D

S

R

L

E

F

T

T

Y

P

F

M

R

P

M

T

E

E

G

G

I

I

E

K

K

R

M

L

V

N

S

Q

L

L

F

Y

T

R

G

Q

G

P

H

T

M

I

N

-

P

-

D

E

T

N

M

L

R

K

Q

L

L

M

T

D

L

I

L
x
F

V

V

H

F

D

D

A

T

T

S

L

D

V

L

T

T

D

D

A

A

L

L

V

F

D

E

E

A

R
|
R

M

L

A

N

V

N

C

M

K

L

A

S

Q

R

P

R

R

D

E

H

V

L

L

E

A

N

T

F

M

V

K

K

-

S

-

L

-

E

-

A

-

N

-

P

-

K

-

Q

V

F

P

P

N

D

L

F

T

G

E

P

R

R

L

L

G

A

E

E

I

I

A

K

C

A

P

Q

V

T

L

L

G

I

F

V

W

W

G

G

T

R

E

N

D

D

R

R

F

F

N

V

P

P

A

M

G

D

G

A

A

G

L

L

K

R

F

L

L

L

Q

S

G

G

C

I

R

A

D

G

A

S

R

E

F

L

V

H

L

I

I

F

N

R

R

D

C
|
C

G

G

H
|
H

W
|
W

V

A

M

Q

V

W

E

E

H

H

S

A

D

D

Y

A

F

F

N

N

R

Q

E

L

C

V

L

L

G

N

F

F

L

L

A

A

S44 (= S40) mutation to A: 2-fold decrease in catalytic efficiency and more than 5-fold increase in affinity for the natural substrate.
N113 (= N109) 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 (= S110) 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 (≠ A114) mutation to A: More than 2-fold decrease in catalytic efficiency and 3-fold increase affinity.
F177 (≠ L174) 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 (= R189) 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 (= C254) 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

1iunB Meta-cleavage product hydrolase from pseudomonas fluorescens ip01 (cumd) s103a mutant hexagonal (see paper)
30% identity, 96% coverage: 7:276/282 of query aligns to 1:271/276 of 1iunB

query
sites
1iunB

A

A

A

N

L

L

P

E

A

I

G

G

Q

K

T

S

I

I

T

L

T

A

P

A

D

-

G

G

L

V

R

L

L

T

H

N

Y

Y

L

H

D

D

A

V

G

G

A

E

G

G

E

Q

P

P

V

V

V

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

H

L

N

T

A

I

P

P

A

A

F

L

A

S

A

K

A

F

G

-

F

Y

R

R

T

V

V

I

V

A

V

P

D

D

L

M

P

V

G

G

Y

F

G

G

Q

F

S

T

S

D

K

R

P

P

A

E

D

N

V

Y

E

N

Y

Y

T

S

L

K

D

D

F

S

F

W

V

V

A

D

A

H

L

I

R

I

A

G

Q

I

L

M

L

D

A

A

L

L

A

E

L

I

P

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

L

I

K

A

Y

T

A

A

L

L

D

R

Y

Y

P

S

E

E

H

R

V

V

S

D

R

R

L

M

V

V

M

L

M

M

A
x
G

P

A

G

A

G

G

V

T

E

-

D

-

R

-

E

-

T

-

Y

-

F

-

R

R

M

F

E

D

G

V

I

T

E

E

K

G

M

L

V

N

S

A

L
x
V

F

W

T

-

G

G

G

Y

H

T

M

P

N

S

P

I

D

E

T

N

M

M

R

R

Q

N

L

L

T

D

L

I

L

F

V

A

H

Y

D

D

A

R

T

S

L

L

V

V

T

T

D

D

A

E

L

L

V

A

D

R

E

L

R
|
R

M

Y

A

E

V

-

C

A

K

S

A

I

Q

Q

P

P

-

G

-

F

R

Q

E

E

V

S

L
x
F

A

S

T

S

M

M

-

F

-

P

-

E

-

P

-

R

-

Q

-

R

-

W

-

I

-

D

K

A

V

L

P

A

N

S

L

S

T

D

E

E

R

D

L

I

G

K

E

T

I

L

A

P

C

N

P

E

V

T

L

L

G

I

F

I

W

H

G

G

T

R

E

E

D
|
D

R

Q

F

V

N

V

P

P

A

L

G

S

A

S

L

L

K

R

F

L

L

G

Q

E

G

L

C

I

R

D

D

R

A

A

R

Q

F

L

V
x
H

L

V

I

F

N

G

R

R

C

C

G

G

H
|
H

W
|
W

V

T

M

Q

V

I

E

E

H

Q

S

T

D

D

Y
x
R

F

F

N

N

R

R

E

L

C

V

L

V

G

E

F

F

L

F

A

N

D

E

active site: S33 (= S40), G34 (= G41), G36 (= G43), N101 (= N109), A102 (≠ S110), F103 (≠ L111), G126 (≠ A134), V141 (≠ L156), R173 (= R189), F186 (≠ L201), D223 (= D228), H251 (= H256), W252 (= W257)
binding acetate ion: H244 (≠ V249), R260 (≠ Y265)

2d0dA Crystal structure of a meta-cleavage product hydrolase (cumd) a129v mutant (see paper)
30% identity, 95% coverage: 9:276/282 of query aligns to 2:270/271 of 2d0dA

query
sites
2d0dA

L

L

P

E

A

I

G

G

Q

K

T

S

I

I

T

L

T

A

P

A

D

-

G

G

L

V

R

L

L

T

H

N

Y

Y

L

H

D

D

A

V

G

G

A

E

G

G

E

Q

P

P

V

V

V

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

H

L

N

T

A

I

P

P

A

A

F

L

A

S

A

K

A

F

G

-

F

Y

R

R

T

V

V

I

V

A

V

P

D

D

L

M

P

V

G

G

Y

F

G

G

Q

F

S

T

S

D

K

R

P

P

A

E

D

N

V

Y

E

N

Y

Y

T

S

L

K

D

D

F

S

F

W

V

V

A

D

A

H

L

I

R

I

A

G

Q

I

L

M

L

D

A

A

L

L

A

E

L

I

P

E

R

K

C

A

V

H

L

I

V

V

G

G

N
|
N

S
|
S

L
x
F

G

G

A

G

I

L

A

A

L

I

K

A

Y

T

A

A

L

L

D

R

Y

Y

P

S

E

E

H

R

V

V

S

D

R

R

L

M

V

V

M

L

M

M

A
x
G

P

A

G

V

G

G

V

T

E

-

D

-

R

-

E

-

T

-

Y

-

F

-

R

R

M

F

E

D

G

V

I

T

E

E

K

G

M

L

V

N

S

A

L
x
V

F

W

T

-

G

G

G

Y

H

T

M

P

N

S

P

I

D

E

T

N

M

M

R

R

Q

N

L

L

T

D

L

I

L

F

V

A

H

Y

D

D

A

R

T

S

L

L

V

V

T

T

D

D

A

E

L

L

V

A

D

R

E

L

R
|
R

M

Y

A

E

V

-

C

A

K

S

A

I

Q

Q

P

P

-

G

-

F

R

Q

E

E

V

S

L
x
F

A

S

T

S

M

M

-

F

-

P

-

E

-

P

-

R

-

Q

-

R

-

W

-

I

-

D

K

A

V

L

P

A

N

S

L

S

T

D

E

E

R

D

L

I

G

K

E

T

I

L

A

P

C

N

P

E

V

T

L

L

G

I

F

I

W

H

G

G

T

R

E

E

D
|
D

R

Q

F

V

N

V

P

P

A

L

G

S

A

S

L

L

K

R

F

L

L

G

Q

E

G

L

C

I

R

D

D

R

A

A

R

Q

F

L

V

H

L

V

I

F

N

G

R

R

C

C

G

G

H
|
H

W
|
W

V

T

M

Q

V

I

E

E

H

Q

S

T

D

D

Y

R

F

F

N

N

R

R

E

L

C

V

L

V

G

E

F

F

L

F

A

N

D

E

active site: S32 (= S40), G33 (= G41), G35 (= G43), N100 (= N109), S101 (= S110), F102 (≠ L111), G125 (≠ A134), V140 (≠ L156), R172 (= R189), F185 (≠ L201), D222 (= D228), H250 (= H256), W251 (= W257)
binding chloride ion: S32 (= S40), S101 (= S110), F102 (≠ L111)

Query Sequence

>RR42_RS31825 FitnessBrowser__Cup4G11:RR42_RS31825
MSSTSPAALPAGQTITTPDGLRLHYLDAGAGEPVVFIHGSGPGASGHSNFKHNAPAFAAA
GFRTVVVDLPGYGQSSKPADVEYTLDFFVAALRAQLLALALPRCVLVGNSLGGAIALKYA
LDYPEHVSRLVMMAPGGVEDRETYFRMEGIEKMVSLFTGGHMNPDTMRQLLTLLVHDATL
VTDALVDERMAVCKAQPREVLATMKVPNLTERLGEIACPVLGFWGTEDRFNPAGGALKFL
QGCRDARFVLINRCGHWVMVEHSDYFNRECLGFLADTAEAAV

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