SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF1134 FitnessBrowser__Marino:GFF1134 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)

1iunB Meta-cleavage product hydrolase from pseudomonas fluorescens ip01 (cumd) s103a mutant hexagonal (see paper)
65% identity, 95% coverage: 9:279/286 of query aligns to 4:273/276 of 1iunB

query
sites
1iunB

E

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active site: S33 (= S39), G34 (= G40), G36 (= G42), N101 (= N107), A102 (≠ S108), F103 (= F109), G126 (= G132), V141 (= V147), R173 (= R179), F186 (= F192), D223 (= D229), H251 (= H257), W252 (= W258)
binding acetate ion: H244 (= H250), R260 (= R266), R263 (= R269)

1ukaA Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with (s)-2-methylbutyrate (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 1ukaA

query
sites
1ukaA

E

E

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active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), A101 (≠ S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding 2-methylbutanoic acid: G31 (= G38), S32 (= S39), A101 (≠ S108), F102 (= F109), L137 (= L144), V140 (= V147), W141 (= W148), V224 (= V231), H250 (= H257)

1uk9A Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with isovalerate (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 1uk9A

query
sites
1uk9A

E

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active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), A101 (≠ S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding isovaleric acid: G31 (= G38), S32 (= S39), A101 (≠ S108), F102 (= F109), A127 (= A134), L137 (= L144), W141 (= W148), H250 (= H257)

1uk8A Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with n-valerate (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 1uk8A

query
sites
1uk8A

E

E

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active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), A101 (≠ S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding pentanoic acid: G31 (= G38), S32 (= S39), A101 (≠ S108), F102 (= F109), F131 (= F138), L137 (= L144), W141 (= W148), L231 (= L238), G234 (≠ A241), E235 (= E242), A240 (= A247), L242 (= L249), H250 (= H257)

1uk7A Crystal structure of a meta-cleavage product hydrolase (cumd) complexed with n-butyrate (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 1uk7A

query
sites
1uk7A

E

E

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E

D

N

Q

Y

I

N

Y

Y

N

S

R

K

E

D

R

S

W

W

V

V

K

D

H

H

A

I

I

I

G

G

V

I

M

M

D

D

E

A

L

L

G

E

L

I

E

E

Q

K

V

A

D

H

L

I

V

V

G

G

N
|
N

S
x
A

F
|
F

G

G

G

G

G

G

L

L

A

A

L

I

A

A

L

T

A

A

I

L

E

R

H

Y

P

S

K

E

R

R

I

V

R

D

R

R

L

M

V

V

L

L

M

M

G
|
G

S

A

A

A

G

G

V

T

R

R

F

F

P

D

I

V

T

T

E

E

G

G

L
|
L

D

N

E

A

V
|
V

W
|
W

G

G

Y

Y

E

T

P

P

S

S

L

I

D

E

N

N

M

M

R

R

R

N

L

L

M

L

D

D

V

I

F

F

A

A

F

Y

N

D

K

R

G

S

L

L

L

V

T

T

D

D

E

E

L

L

A

A

E

R

M

L

R
|
R

Y

Y

E

E

A

A

S

S

I

I

R

Q

P

P

G

G

F

F

Q

Q

E

E

S

S

F
|
F

A

S

A

S

M

M

F

F

P

P

A

E

P

P

R

R

Q

Q

R

R

W

W

V

I

D

D

N

A

L

L

A

A

S

S

N

S

E

D

D

E

D

D

I

I

R

K

A

T

L

L

T

P

H

N

E

E

T

T

L

L

I

I

I

I

H

H

G

G

R

R

E

E

D
|
D

E

Q

V

V

I

V

P

P

L

L

E

S

A

S

S

S

L

L

R

R

L

L

A

G

E

E

L

L

I

I

D

D

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

R

C

C

G

G

H
|
H

W
|
W

T

T

Q

Q

I

I

E

E

H

Q

A

T

D

D

R

R

F

F

A

N

R

R

L

L

V

V

N

V

D

E

F

F

L

F

T

N

E

E

A

A

active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), A101 (≠ S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding butanoic acid: G31 (= G38), S32 (= S39), A101 (≠ S108), F102 (= F109), L137 (= L144), W141 (= W148), H250 (= H257)

1iupA Meta-cleavage product hydrolase from pseudomonas fluorescens ip01 (cumd) s103a mutant complexed with isobutyrates (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 1iupA

query
sites
1iupA

E

E

I

I

G

G

R

K

E

S

I

I

T

L

A

A

A

A

G

G

Y

V

R

L

T

T

N

N

V

Y

H

H

D

D

H

V

G

G

E

E

G

G

G

Q

V

-

P

P

V

V

M

I

M

L

I

I

H

H

G
|
G

S
|
S

G
|
G

P

P

G
|
G

V

V

T

S

A

A

W

Y

A
|
A

N
|
N

W

W

R

R

L

L

V

T

I

I

P

P

E

A

L

L

A

S

K

K

N

F

R

Y

R

R

V

V

V

I

A

A

P

P

D

D

M

M

L

V

G

G

F

F

G

G

Y

F

S

T

E

D

R

R

P

P

E

E

D

N

Q

Y

I

N

Y
|
Y

N
x
S

R

K

E

D

R

S

W
|
W

V

V

K

D

H

H

A

I

I

I

G

G

V

I

M

M

D

D

E

A

L

L

G

E

L

I

E

E

Q

K

V

A

D

H

L

I

V

V

G

G

N
|
N

S
x
A

F
|
F

G

G

G

G

G

G

L

L

A

A

L

I

A

A

L

T

A

A

I

L

E

R

H

Y

P

S

K

E

R

R

I

V

R

D

R

R

L

M

V

V

L

L

M

M

G
|
G

S

A

A

A

G

G

V

T

R

R

F

F

P

D

I

V

T

T

E

E

G

G

L
|
L

D

N

E

A

V
|
V

W
|
W

G

G

Y

Y

E

T

P

P

S

S

L

I

D

E

N

N

M

M

R

R

R

N

L

L

M

L

D

D

V

I

F

F

A

A

F

Y

N

D

K

R

G

S

L

L

L

V

T

T

D

D

E

E

L

L

A

A

E

R

M

L

R
|
R

Y

Y

E

E

A

A

S

S

I

I

R

Q

P

P

G

G

F

F

Q

Q

E

E

S

S

F
|
F

A

S

A

S

M
|
M

F
|
F

P

P

A

E

P

P

R

R

Q

Q

R

R

W
|
W

V

I

D

D

N

A

L

L

A

A

S

S

N

S

E

D

D

E

D

D

I

I

R

K

A

T

L

L

T

P

H

N

E

E

T

T

L

L

I

I

I

I

H

H

G

G

R

R

E

E

D
|
D

E

Q

V
|
V

I

V

P

P

L

L

E

S

A

S

S

S

L

L

R

R

L

L

A

G

E

E

L

L

I

I

D

D

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

R

C

C

G

G

H
|
H

W
|
W

T

T

Q

Q

I
|
I

E

E

H

Q

A

T

D

D

R

R

F

F

A

N

R

R

L

L

V

V

N

V

D

E

F

F

L

F

T

N

E

E

A

A

active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), A101 (≠ S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding 2-methyl-propionic acid: G31 (= G38), S32 (= S39), A40 (= A47), N41 (= N48), Y74 (= Y81), S75 (≠ N82), W79 (= W86), A101 (≠ S108), F102 (= F109), L137 (= L144), V140 (= V147), W141 (= W148), R172 (= R179), M188 (= M195), F189 (= F196), W196 (= W203), V224 (= V231), H250 (= H257), W251 (= W258), I254 (= I261)

2d0dA Crystal structure of a meta-cleavage product hydrolase (cumd) a129v mutant (see paper)
65% identity, 94% coverage: 9:278/286 of query aligns to 3:271/271 of 2d0dA

query
sites
2d0dA

E

E

I

I

G

G

R

K

E

S

I

I

T

L

A

A

A

A

G

G

Y

V

R

L

T

T

N

N

V

Y

H

H

D

D

H

V

G

G

E

E

G

G

G

Q

V

-

P

P

V

V

M

I

M

L

I

I

H

H

G

G

S
|
S

G
|
G

P

P

G
|
G

V

V

T

S

A

A

W

Y

A

A

N

N

W

W

R

R

L

L

V

T

I

I

P

P

E

A

L

L

A

S

K

K

N

F

R

Y

R

R

V

V

V

I

A

A

P

P

D

D

M

M

L

V

G

G

F

F

G

G

Y

F

S

T

E

D

R

R

P

P

E

E

D

N

Q

Y

I

N

Y

Y

N

S

R

K

E

D

R

S

W

W

V

V

K

D

H

H

A

I

I

I

G

G

V

I

M

M

D

D

E

A

L

L

G

E

L

I

E

E

Q

K

V

A

D

H

L

I

V

V

G

G

N
|
N

S
|
S

F
|
F

G

G

G

G

G

G

L

L

A

A

L

I

A

A

L

T

A

A

I

L

E

R

H

Y

P

S

K

E

R

R

I

V

R

D

R

R

L

M

V

V

L

L

M

M

G
|
G

S

A

A

V

G

G

V

T

R

R

F

F

P

D

I

V

T

T

E

E

G

G

L

L

D

N

E

A

V
|
V

W

W

G

G

Y

Y

E

T

P

P

S

S

L

I

D

E

N

N

M

M

R

R

R

N

L

L

M

L

D

D

V

I

F

F

A

A

F

Y

N

D

K

R

G

S

L

L

L

V

T

T

D

D

E

E

L

L

A

A

E

R

M

L

R
|
R

Y

Y

E

E

A

A

S

S

I

I

R

Q

P

P

G

G

F

F

Q

Q

E

E

S

S

F
|
F

A

S

A

S

M

M

F

F

P

P

A

E

P

P

R

R

Q

Q

R

R

W

W

V

I

D

D

N

A

L

L

A

A

S

S

N

S

E

D

D

E

D

D

I

I

R

K

A

T

L

L

T

P

H

N

E

E

T

T

L

L

I

I

I

I

H

H

G

G

R

R

E

E

D
|
D

E

Q

V

V

I

V

P

P

L

L

E

S

A

S

S

S

L

L

R

R

L

L

A

G

E

E

L

L

I

I

D

D

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

R

C

C

G

G

H
|
H

W
|
W

T

T

Q

Q

I

I

E

E

H

Q

A

T

D

D

R

R

F

F

A

N

R

R

L

L

V

V

N

V

D

E

F

F

L

F

T

N

E

E

A

A

active site: S32 (= S39), G33 (= G40), G35 (= G42), N100 (= N107), S101 (= S108), F102 (= F109), G125 (= G132), V140 (= V147), R172 (= R179), F185 (= F192), D222 (= D229), H250 (= H257), W251 (= W258)
binding chloride ion: S32 (= S39), S101 (= S108), F102 (= F109)

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)
36% identity, 90% coverage: 20:275/286 of query aligns to 25:287/291 of P9WNH5

query
sites
P9WNH5

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G

G

S

G

G

G

P

P

G

G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N

N

S
|
S

F

L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V

L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R

R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D

D

E

R

V

V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H

H

W

W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

S114 (= S108) mutation to A: Reduces the hydrolase activity.

7zm4A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc31 (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 7zm4A

query
sites
7zm4A

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G

G

P

P

G

G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N

N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L
x
V

D

K

E

R

V
x
L

W
x
S

G

K

Y

F

E
x
S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R

R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-
x
T

-

R

G

A

F

M

Q
x
G

E

K

S

S

F
|
F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D

D

E

R

V

V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W

W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

binding undecyl dihydrogen phosphate: G38 (= G38), G39 (≠ S39), S108 (= S108), L109 (≠ F109), V149 (≠ L144), L152 (≠ V147), S153 (≠ W148), S156 (≠ E151), T199 (vs. gap), G203 (≠ Q189), F206 (= F192), H263 (= H257)

7zm3A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclipostin-like inhibitor cyc17 (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 7zm3A

query
sites
7zm3A

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G

G

P

P

G

G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N

N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V

L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R

R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D

D

E

R

V

V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W

W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

binding hexadecyl dihydrogen phosphate: G38 (= G38), G39 (≠ S39), S108 (= S108), L109 (≠ F109), H263 (= H257)

7zm2A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc8b (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 7zm2A

query
sites
7zm2A

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G

G

S
x
G

G
|
G

P

P

G

G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N

N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V

L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R

R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D

D

E

R

V

V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W

W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

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 (≠ S39), G40 (= G40), S108 (= S108), L109 (≠ F109), H263 (= H257)

7zm1A Crystal structure of hsad from mycobacterium tuberculosis in complex with cyclophostin-like inhibitor cyc7b (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 7zm1A

query
sites
7zm1A

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G

G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N

N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A
x
G

G
|
G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V
x
L

W
x
S

G

K

Y

F

E
x
S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R

R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-
x
T

-
x
R

G

A

F
x
M

Q

G

E

K

S

S

F
|
F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D

D

E

R

V
|
V

I
x
N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W

W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

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 (= G38), G39 (≠ S39), G40 (= G40), S108 (= S108), L109 (≠ F109), G134 (≠ A134), G135 (= G135), L152 (≠ V147), S153 (≠ W148), S156 (≠ E151), T199 (vs. gap), R200 (vs. gap), M202 (≠ F188), F206 (= F192), V237 (= V231), N238 (≠ I232), H263 (= H257)

5jzsB Hsad bound to 3,5-dichloro-4-hydroxybenzoic acid (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 5jzsB

query
sites
5jzsB

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N
|
N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G
|
G

L
x
V

D

K

E

R

V
x
L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R
|
R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D
|
D

E

R

V
|
V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W
|
W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (≠ S39), G40 (= G40), G42 (= G42), N107 (= N107), S108 (= S108), L109 (≠ F109), R186 (= R179), D235 (= D229), H263 (= H257), W264 (= W258)
binding 3,5-dichloro-4-hydroxybenzoic acid: G38 (= G38), G39 (≠ S39), G40 (= G40), S108 (= S108), L109 (≠ F109), G148 (= G143), V149 (≠ L144), L152 (≠ V147), V237 (= V231), H263 (= H257)

5jz9A Crystal structure of hsad bound to 3,5-dichloro-4- hydroxybenzenesulphonic acid (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/284 of 5jz9A

query
sites
5jz9A

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N
|
N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G
|
G

L

V

D

K

E

R

V
x
L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L
x
F

M

L

D

R

V

V

F
x
M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R
|
R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D
|
D

E

R

V
|
V

I

N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W
|
W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (≠ S39), G40 (= G40), G42 (= G42), N107 (= N107), S108 (= S108), L109 (≠ F109), R186 (= R179), D235 (= D229), H263 (= H257), W264 (= W258)
binding 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid: G38 (= G38), G39 (≠ S39), G40 (= G40), S108 (= S108), G148 (= G143), L152 (≠ V147), F167 (≠ L160), M171 (≠ F164), V237 (= V231), H263 (= H257), W264 (= W258)

5jzbA Crystal structure of hsad bound to 3,5-dichlorobenzene sulphonamide (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/282 of 5jzbA

query
sites
5jzbA

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G

G

S
x
G

G
|
G

P

P

G
|
G

V

A

T

A

A

S

W

W

A

T

N

N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N
|
N

S
|
S

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A
x
G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V
x
L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R
|
R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F

M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E

-

D

R

D

E

I

V

R

Y

A

R

L

L

T

R

H

Q

E

P

T

V

L

L

I

L

I

I

H

W

G

G

R

R

E

E

D
|
D

E

R

V

V

I
x
N

P

P

L

L

E

D

A

G

S

A

L

L

R

V

L

A

A

L

E

K

L

T

I

I

D

P

R

R

A

A

Q

Q

L

L

H

H

V

V

F

F

G

G

R

Q

C

C

G

G

H
|
H

W
|
W

T

V

Q

Q

I

V

E

E

H

K

A

F

D

D

R

E

F

F

A

N

R

K

L

L

V

T

N

I

D

E

F

F

L

L

active site: G39 (≠ S39), G40 (= G40), G42 (= G42), N107 (= N107), S108 (= S108), L109 (≠ F109), R186 (= R179), D235 (= D229), H263 (= H257), W264 (= W258)
binding 3,5-dichlorobenzene-1-sulfonamide: G39 (≠ S39), G40 (= G40), S108 (= S108), L109 (≠ F109), G134 (≠ A134), L152 (≠ V147), N238 (≠ I232), H263 (= H257)

2wugA Crystal structure of s114a mutant of hsad from mycobacterium tuberculosis in complex with hopda (see paper)
36% identity, 90% coverage: 20:275/286 of query aligns to 19:281/283 of 2wugA

query
sites
2wugA

R

K

T

L

N

H

V

Y

H

H

D

E

H

A

G

G

E

V

G

G

G

N

-

D

V

Q

P

T

V

V

M

V

M

L

I

L

H

H

G
|
G

S
x
G

G
|
G

P

P

G
|
G

V
x
A

T

A

A

S

W

W

A

T

N
|
N

W

F

R

S

L

R

V

N

I

I

P

A

E

V

L

L

A

A

K

R

N

H

R

F

R

H

V

V

V

L

A

A

P

V

D

D

M

Q

L

P

G

G

F

Y

G

G

Y

H

S

S

E

D

-

K

R

R

P

A

E

E

D

H

Q

G

I

Q

Y

F

N

N

R

R

E

-

R

-

W

Y

V

A

K

A

H

M

A

A

I

L

-

K

G

G

V

L

M

F

D

D

E

Q

L

L

G

G

L

L

E

G

Q

R

V

V

D

P

L

L

V

V

G

G

N
|
N

S
x
A

F
x
L

G

G

G

G

G

G

L

T

A

A

L

V

A

R

L

F

A

A

I

L

E

D

H

Y

P

P

K

A

R

R

I

A

R

G

R

R

L

L

V

V

L

L

M

M

G

G

S

P

A

G

G

G

V

L

R

S

F

I

P

N

I

L

-

F

-

A

-

P

-

D

-

P

T

T

E

E

G

G

L

V

D

K

E

R

V

L

W

S

G

K

Y

F

E

S

-

V

-

A

P

P

S

T

L

R

D

E

N

N

M

L

R

E

R

A

L

F

M

L

D

R

V

V

F

M

A

V

F

Y

N

D

K

K

G

N

L

L

L

I

T

T

D

P

E

E

L

L

A

V

E

D

M

Q

R
|
R

Y

F

E

A

A

L

S

A

I

S

R

T

P

P

-

E

-

S

-

L

-

T

-

A

-

T

-

R

G

A

F
x
M

Q

G

E

K

S

S

F

F

A

A

A

G

M

A

F

D

P

F

A

E

P

A

R

G

Q

M

R

M

W

W

V

-

D

-

N

-

L

-

A

-

S

-

N

-

E