SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SMc00235 FitnessBrowser__Smeli:SMc00235 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)

1kgzB Crystal structure analysis of the anthranilate phosphoribosyltransferase from erwinia carotovora (current name, pectobacterium carotovorum) (see paper)
39% identity, 95% coverage: 5:323/337 of query aligns to 3:320/330 of 1kgzB

query
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1kgzB

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binding manganese (ii) ion: S92 (= S93), D222 (= D225), E223 (= E226), E223 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V79 (= V80), G82 (= G83), G83 (= G84), N90 (= N91), I91 (= I92), S92 (= S93), T93 (= T94), K108 (= K109), S118 (≠ T121)

4yi7A Anthranilate bound at active site of anthranilate phosphoribosyl transferase from acinetobacter (anprt; trpd)
41% identity, 88% coverage: 29:323/337 of query aligns to 29:315/331 of 4yi7A

query
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4yi7A

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active site: V82 (= V80)
binding 2-aminobenzoic acid: V82 (= V80), G83 (= G81), H110 (= H110), R154 (≠ T166), G167 (= G180)

5nofA Anthranilate phosphoribosyltransferase from thermococcus kodakaraensis (see paper)
39% identity, 93% coverage: 7:321/337 of query aligns to 3:311/325 of 5nofA

query
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5nofA

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binding zinc ion: E48 (≠ D54), D78 (= D85), E198 (= E206), D217 (= D225), E218 (= E226)

P9WFX5 Anthranilate phosphoribosyltransferase; EC 2.4.2.18 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
44% identity, 93% coverage: 17:331/337 of query aligns to 40:364/370 of P9WFX5

query
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P9WFX5

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G107 (= G81) binding
T115 (= T89) binding
G147 (≠ T121) binding

4owuA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 5-methylanthranilate, prpp and magnesium (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 17:341/347 of 4owuA

query
sites
4owuA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

L
x
A

S

S

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q
x
P

Q

R

H

F

H

H

S

P

A

S

M
x
Y

R
|
R

H

H

V

A

G
x
A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V83 (= V80)
binding 2-azanyl-5-methyl-benzoic acid: N115 (= N112), P157 (≠ Q154), Y163 (≠ M160), R164 (= R161), A167 (≠ G164)
binding magnesium ion: S96 (= S93), D228 (= D225), E229 (= E226), E229 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G84 (= G81), G86 (= G83), G87 (= G84), N94 (= N91), S96 (= S93), T97 (= T94), K112 (= K109), A118 (≠ L115), S120 (= S117), G123 (= G120)

4owqA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 3-methylanthranilate, prpp and magnesium (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 17:341/347 of 4owqA

query
sites
4owqA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R

R

A
|
A

L
x
A

S

S

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G
x
A

P

A

T

V

R

R

V
x
R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V83 (= V80)
binding 2-azanyl-3-methyl-benzoic acid: P157 (≠ Q154), H160 (= H157), Y163 (≠ M160), A167 (≠ G164), R171 (≠ V168)
binding magnesium ion: S96 (= S93), D228 (= D225), E229 (= E226), E229 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V83 (= V80), G84 (= G81), G86 (= G83), G87 (= G84), N94 (= N91), S96 (= S93), T97 (= T94), K112 (= K109), A117 (= A114), A118 (≠ L115), S120 (= S117), G123 (= G120)

4giuA Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (anprt; trpd). (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 17:341/346 of 4giuA

query
sites
4giuA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G
|
G

N
|
N

R

R

A
|
A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q

P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G

A

P

A

T

V

R
|
R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G
|
G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V83 (= V80)
binding 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid: G114 (= G111), N115 (= N112), A156 (= A153), H160 (= H157), Y163 (≠ M160), R170 (= R167), G183 (= G180)
binding magnesium ion: S96 (= S93), D228 (= D225), E229 (= E226), E229 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G84 (= G81), G86 (= G83), G87 (= G84), N94 (= N91), S96 (= S93), T97 (= T94), K112 (= K109), N115 (= N112), A117 (= A114), A118 (≠ L115), S119 (= S116), S120 (= S117), G123 (= G120)

4owoA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 6-fluoroanthranilate, prpp and magnesium (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 18:342/348 of 4owoA

query
sites
4owoA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T
|
T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H
|
H

G

G

N
|
N

R

R

A
|
A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G
x
A

P

A

T

V

R
|
R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G
|
G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V84 (= V80)
binding 2-azanyl-6-fluoranyl-benzoic acid: V84 (= V80), G85 (= G81), T86 (= T82), H114 (= H110), N116 (= N112), N116 (= N112), A157 (= A153), P158 (≠ Q154), H161 (= H157), Y164 (≠ M160), A168 (≠ G164), R171 (= R167), G184 (= G180)
binding magnesium ion: S97 (= S93), D229 (= D225), E230 (= E226), E230 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V84 (= V80), G85 (= G81), G87 (= G83), G88 (= G84), N95 (= N91), S97 (= S93), T98 (= T94), K113 (= K109), A118 (= A114), A119 (≠ L115), S120 (= S116), S121 (= S117), G124 (= G120)

4owmA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 3-fluoroanthranilate, prpp and magnesium (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 4owmA

query
sites
4owmA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R

R

A

A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R
|
R

H

H

V

A

G
x
A

P

A

T

V

R

R

V
x
R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 2-azanyl-3-fluoranyl-benzoic acid: P156 (≠ Q154), H159 (= H157), Y162 (≠ M160), R163 (= R161), A166 (≠ G164), R170 (≠ V168)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120)

4gkmA Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (anprt; trpd) (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 4gkmA

query
sites
4gkmA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G

G

T

T

G

G

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q
x
P

Q

R

H

F

H

H

S

P

A

S

M
x
Y

R
|
R

H

H

V

A

G
x
A

P

A

T

V

R
|
R

V
x
R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid: N114 (= N112), A155 (= A153), P156 (≠ Q154), Y162 (≠ M160), R163 (= R161), A166 (≠ G164), R169 (= R167), R170 (≠ V168)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120)

3r6cA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs179) (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 3r6cA

query
sites
3r6cA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M
|
M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R
|
R

A
|
A

L
x
A

S
|
S

K

L

S

S

G
|
G

T
x
G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G
x
A

P

A

T

V

R
|
R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G
|
G

P

P

L

L

A
x
T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A
x
R

L

V

K
x
A

D

A

G

G

T

S

I

V

T
x
D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M
x
V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A
|
A

G

E

D
x
W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid: M62 (= M63), N114 (= N112), A155 (= A153), P156 (≠ Q154), H159 (= H157), Y162 (≠ M160), A166 (≠ G164), R169 (= R167), G182 (= G180), T185 (≠ A183), R239 (≠ A237), A241 (≠ K239), D246 (≠ T244), V301 (≠ M299), A310 (= A304), W312 (≠ D306)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), G85 (= G83), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), N114 (= N112), R115 (= R113), A116 (= A114), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120), G123 (≠ T121)

3qsaA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor tamu-a7)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 3qsaA

query
sites
3qsaA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M
|
M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R
|
R

H

H

V

A

G
x
A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G
|
G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120)
binding 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione: M62 (= M63), N114 (= N112), A155 (= A153), P156 (≠ Q154), H159 (= H157), Y162 (≠ M160), R163 (= R161), A166 (≠ G164), G182 (= G180)

3qs8A Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs174) (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 3qs8A

query
sites
3qs8A

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M
|
M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A
|
A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q
x
P

Q

R

H

F

H

H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G
x
A

P

A

T

V

R
|
R

V
x
R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

L
|
L

G
|
G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 2-benzylbenzoic acid: M62 (= M63), G83 (= G81), N114 (= N112), N114 (= N112), A155 (= A153), A155 (= A153), P156 (≠ Q154), Y162 (≠ M160), Y162 (≠ M160), A166 (≠ G164), R169 (= R167), R169 (= R167), R170 (≠ V168), L181 (= L179), G182 (= G180)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), G85 (= G83), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), N114 (= N112), A116 (= A114), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120), E228 (= E226)

3qqsA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs172) (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 3qqsA

query
sites
3qqsA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G

G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R
|
R

A

A

L
x
A

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q
x
P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R
|
R

H

H

V

A

G
x
A

P

A

T

V

R
|
R

V
x
R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 2,2'-iminodibenzoic acid: P156 (≠ Q154), H159 (= H157), Y162 (≠ M160), R163 (= R161), A166 (≠ G164), R169 (= R167), R170 (≠ V168)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V82 (= V80), G85 (= G83), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), R115 (= R113), A117 (≠ L115), S118 (= S116), S119 (= S117), G122 (= G120)

1zvwA The crystal structure of trpd (rv2192c) from mycobacterium tuberculosis in complex with prpp and magnesium (see paper)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:340/346 of 1zvwA

query
sites
1zvwA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R
x
T

V
x
M

R
x
K

G

A

E
x
P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K

K

H

H

G

G

N

N

R

R

A

A

L
x
A

S
|
S

K

L

S

S

G

G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q

P

Q

R

H

F

H

H

S

P

A

S

M

Y

R

R

H

H

V

A

G

A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q
x
D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding benzamidine: T46 (≠ R47), M47 (≠ V48), K48 (≠ R49), P50 (≠ E51), D201 (≠ Q199)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), N93 (= N91), S95 (= S93), T96 (= T94), A117 (≠ L115), S118 (= S116), S119 (= S117)

5c2lA Magnesium soaked into the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
44% identity, 93% coverage: 17:331/337 of query aligns to 18:342/349 of 5c2lA

query
sites
5c2lA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G

G

T

T

G

G

D

D

G

G

A

V

G

N

T

T

Y

V

N

N

I

L

S

S

T

T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K

K

H

H

G

G

N

N

R

R

A

A

L

A

S

S

K

L

S

S

G

G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q

P

Q

R

H

F

H

H

S

P

A

S

M

Y

R

R

H

H

V

A

G

A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

-

A

-

H

-

A

-

G

I

L

A

S

G

S

R

R

A

A

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V84 (= V80)
binding magnesium ion: D229 (= D225), E230 (= E226)

5c7sA Prpp complexed with two mn2+ in the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
44% identity, 93% coverage: 17:331/337 of query aligns to 17:339/344 of 5c7sA

query
sites
5c7sA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

L

A

S

S

S
|
S

K

L

S

S

G

G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q

P

Q

R

H

F

H

H

S

P

A

S

M

Y

R

R

H

H

V

A

G

A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

I

A

-

H

A

A

G

G

R

L

A

S

G

S

D

E

-

W

-

L

-

P

-

A

L

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V83 (= V80)
binding manganese (ii) ion: G84 (= G81), S96 (= S93), D228 (= D225), E229 (= E226), E229 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V83 (= V80), G84 (= G81), G86 (= G83), G87 (= G84), N94 (= N91), S96 (= S93), T97 (= T94), K112 (= K109), N115 (= N112), S120 (= S117)

5c1rA Stereoisomer of prpp bound in the active site of mycobacterium tuberculosis anthranilate phosphoribosyl (anprt; trpd)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:338/343 of 5c1rA

query
sites
5c1rA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

G
|
G

D
|
D

G

G

A
x
V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R
|
R

A

A

L
x
A

S
|
S

K

L

S

S

G

G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q

P

Q

R

H

F

H

H

S

P

A

S

M

Y

R

R

H

H

V

A

G

A

P

A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D

D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

I

A

-

H

A

A

G

G

R

L

A

S

G

A

D

E

-

W

-

L

-

P

-

A

L

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose: V82 (= V80), G83 (= G81), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), R115 (= R113), A117 (≠ L115), S118 (= S116), S119 (= S117)
binding magnesium ion: D87 (= D85), V89 (≠ A87), S95 (= S93), E228 (= E226)

4zokA Methylsulfonyl-containing inhibitor bound in the substrate capture site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:337/342 of 4zokA

query
sites
4zokA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G

G

T

T

G

G

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R

R

A
|
A

L
x
A

S

S

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A

A

Q
x
P

Q

R

H

F

H

H

S

P

A

S

M

Y

R
|
R

H

H

V

A

G
x
A

P
x
A

T

V

R

R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G

G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D

D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

I

A

-

H

A

A

G

G

R

L

A

S

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid: P156 (≠ Q154), R163 (= R161), A166 (≠ G164), A167 (≠ P165)
binding magnesium ion: S95 (= S93), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), A116 (= A114), A117 (≠ L115), S119 (= S117), G122 (= G120)

4zofA Lobenzarit-like inhibitor bound in the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
44% identity, 93% coverage: 17:331/337 of query aligns to 16:337/342 of 4zofA

query
sites
4zofA

L

L

S

A

R

R

E

G

D

Q

A

A

R

A

A

W

A

A

F

M

E

D

I

Q

I

I

M

M

S

T

G

G

A

N

A

A

T

R

P

P

S

A

Q

Q

I

I

G

A

F

F

L

A

M

V

A

A

L

M

R

T

V

M

R

K

G

A

E

P

T

T

V

A

D

D

E

E

I

V

V

G

G

E

A

L

V

A

G

G

A

V

M

M

R

L

A

S

R

H

M

A

L

H

P

P

V

L

E

P

A

A

-

D

-

T

-

V

P

P

D

D

G

D

A

A

I

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

G

G

A

V

G

N

T

T

Y

V

N
|
N

I

L

S
|
S

T
|
T

L

M

A

A

L

I

I

V

V

V

A

A

G

A

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G
|
G

N
|
N

R

R

A
|
A

L
x
A

S

S

S
|
S

K

L

S

S

G
|
G

T

G

A

A

D

D

A

T

L

L

S

E

C

A

L

L

G

G

V

V

N

R

L

I

D

D

I

L

G

G

P

P

A

D

V

L

I

V

S

A

R

R

C

S

I

L

A

A

E

E

A

V

G

G

L

I

G

G

F

F

M

C

F

F

A
|
A

Q

P

Q

R

H

F

H
|
H

S

P

A

S

M
x
Y

R

R

H

H

V

A

G

A

P

A

T

V

R
|
R

V

R

E

E

L

I

G

G

T

V

R

P

T

T

I

V

F

F

N

N

L

L

G
|
G

P

P

L

L

A

T

N

N

P

P

A

A

G

R

V

P

R

R

Q

A

Q

G

L

L

V

I

G

G

V

C

Y

A

A

F

P

A

Q

D

W

L

V

A

D

E

P

V

L

M

A

A

E

G

V

V

L

F

R

A

D

A

L

R

G

R

S

S

E

-

S

S

V

V

W

L

V

V

H

H

G

G

-

D

E

D

G

G

L

L

D
|
D

E
|
E

I

L

T

T

G

T

V

T

T

S

K

T

V

I

A

W

A

R

L

V

K

A

D

A

G

G

T

S

I

V

T

D

N

K

F

L

E

T

L

F

T

D

P

P

A

A

D

G

F

F

G

G

L

F

E

A

R

R

V

A

S

Q

L

L

D

D

A

Q

L

L

K

A

G

G

D

D

G

A

A

Q

H

A

N

N

A

A

L

V

Q

R

A

A

V

V

L

L

D

G

G

G

A

A

E

R

N

G

A

P

Y

V

R

R

D

D

I

A

S

V

L

V

A

L

N

N

A

A

A

G

S

A

L

I

M

V

I

A

-

H

A

A

G

G

R

L

A

S

G

E

D

W

L

L

-

P

-

A

-

W

S

E

E

E

G

G

M

L

A

R

L

R

A

A

R

S

Q

A

S

A

L

I

S

D

S

T

G

G

G

A

A

A

K

E

V

Q

A

L

L

L

Q

A

R

R

L

W

I

V

active site: V82 (= V80)
binding 2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid: G113 (= G111), N114 (= N112), A155 (= A153), H159 (= H157), Y162 (≠ M160), R169 (= R167), G182 (= G180)
binding magnesium ion: S95 (= S93), D227 (= D225), E228 (= E226), E228 (= E226)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G81), G85 (= G83), G86 (= G84), N93 (= N91), S95 (= S93), T96 (= T94), K111 (= K109), A116 (= A114), A117 (≠ L115), S119 (= S117), G122 (= G120)

Query Sequence

>SMc00235 FitnessBrowser__Smeli:SMc00235
MSDLKPFVAKVAAREALSREDARAAFEIIMSGAATPSQIGGFLMALRVRGETVDEIVGAV
GAMRARMLPVEAPDGAIDIVGTGGDGAGTYNISTLAALIVAGAGVPVAKHGNRALSSKSG
TADALSCLGVNLDIGPAVISRCIAEAGLGFMFAQQHHSAMRHVGPTRVELGTRTIFNLLG
PLANPAGVRQQLVGVYAPQWVDPLAEVLRDLGSESVWVVHGEGLDEITTTGVTKVAALKD
GTITNFELTPADFGLERVSLDALKGGDGAHNAAALQAVLDGAENAYRDISLANAAASLMI
AGRAGDLSEGMALARQSLSSGGAKVALQRLITVSNAA

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