SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_005454544.1 NCBI__GCF_000244975.1:WP_005454544.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5c7sA Prpp complexed with two mn2+ in the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
56% identity, 99% coverage: 5:341/341 of query aligns to 3:342/344 of 5c7sA

query
sites
5c7sA

T

S

W

W

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P

A

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I

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N

G

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R

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D

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A

E

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A

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T

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A

A

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W

A

A

M

M

D

D

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I

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M

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G

E

N

A

A

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P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

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V

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A

L

M

R

T

A

M

K

K

G

A

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T

T

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E

E

I

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G

E

M

L

A

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K

G

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M

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H

H

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A

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I

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T

-

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-

P

-

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R

D

T

A

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D

D

I

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V
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V

G
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G

T

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G
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G

D

D

R

G

K

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G

N

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T

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V

N
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N

I

L

S
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S

T
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T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

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V

K
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K

H

H

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G

N
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N

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R

A

A

S

S

S
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S

K

L

S

S

G

G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

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I

I

E

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S

L

E

G

P

P

D

D

D

L

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A

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R

C

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L

E

A

E

E

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G

G

I

I

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F

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C

C

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F

A

A

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F

F

H

H

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Y

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R

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H

T

A

G

A

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A

P

V

R

R

E

E

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I

G

G

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V

S

P

T

T

A

V

F

F

N

N

L

L

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G

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L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

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V

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M

A

A

E

G

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V

Y

F

A

A

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A

R

R

G

R

H

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S

S

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V

L

L

L

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R

H

G

G

D

D

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L

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D

E
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E

I

L

T

T

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S

T

T

A

I

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W

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V

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A

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A

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A

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A

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P

L

D

D

A

Q

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R

A

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G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

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V

K

R

E

A

L

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V

L

G

G

K

A

T

R

G

G

P

P

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R

R

D

D

A

A

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V

L

V

L

L

N

N

A

A

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G

A

A

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I

A

V

A

A

F

H

A

A

G

G

F

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S

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T

L

A

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D

A

L

W

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A

E

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G

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A

A

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A

A

A

I

I

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D

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T

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L

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G

active site: V83 (= V82)
binding manganese (ii) ion: G84 (= G83), S96 (= S95), D228 (= D227), E229 (= E228), E229 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V83 (= V82), G84 (= G83), G86 (= G85), G87 (= G86), N94 (= N93), S96 (= S95), T97 (= T96), K112 (= K111), N115 (= N114), S120 (= S119)

5c1rA Stereoisomer of prpp bound in the active site of mycobacterium tuberculosis anthranilate phosphoribosyl (anprt; trpd)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:341/343 of 5c1rA

query
sites
5c1rA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

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G

G

E

M

L

A

A

K

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A

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M

M

L

L

A

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H

H

S

A

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H

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I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

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R

D

T

A

V

V

D

D

I

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V
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V

G
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G

T

T

G

G

G
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G

D
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D

R

G

K
x
V

G

N

S

T

V

V

N
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N

I

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S
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S

T
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T

M

M

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A

S

A

L

I

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V

A

A

G

G

T

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P

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V

K
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K

H

H

G

G

N

N

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R

A

A

A
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A

S
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S

K

L

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S

G

G

A

G

A

A

D

D

V

T

L

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E

E

A

A

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I

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P

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C

C

F

F

A

A

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R

F

F

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H

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Y

Y

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R

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H

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A

G

A

P

A

P

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R

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E

E

L

I

G

G

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V

S

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T

T

A

V

F

F

N

N

L

L

G

G

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P

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L

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T

N

N

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A

A

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R

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S

A

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I

I

G

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C

C

A

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Y

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D

K

L

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E

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F

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A

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H

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S

S

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V

L

L

L

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V

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R

H

G

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D

G

G

F

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E
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E

I

L

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S

S

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A

I

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W

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A

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A

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P

L

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D

A

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A

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G

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D

A

A

A

Q

A

A

N

N

A

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E

A

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A

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K

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E

A

L

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V

L

G

G

K

A

T

R

G

G

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P

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V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

A

D

E

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W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

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R

A

A

A

I

I

D

D

S

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G

G

A

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R

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W

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G

G

active site: V82 (= V82)
binding 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose: V82 (= V82), G83 (= G83), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), R115 (= R115), A117 (= A117), S118 (= S118), S119 (= S119)
binding magnesium ion: D87 (= D87), V89 (≠ K89), S95 (= S95), E228 (= E228)

3r88B Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs145) (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:341/344 of 3r88B

query
sites
3r88B

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
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V

G
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G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
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N

I

L

S
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S

T
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T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
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A

S
|
S

K

L

S

S

G

G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

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V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
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A

P
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P

V

R

F

F

H
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H

P

P

A

S

Y
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Y

R
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R

H

H

T

A

G
x
A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
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D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2-amino-4,5-dimethoxybenzoic acid: N114 (= N114), A155 (= A155), P156 (= P156), H159 (= H159), Y162 (= Y162), R163 (= R163), A166 (≠ G166)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V82 (= V82), G83 (= G83), G85 (= G85), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), N114 (= N114), A117 (= A117), S118 (= S118), S119 (= S119)

4zokA Methylsulfonyl-containing inhibitor bound in the substrate capture site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
57% identity, 99% coverage: 5:341/341 of query aligns to 2:340/342 of 4zokA

query
sites
4zokA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G

G

T

T

G

G

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N

N

R

R

A
|
A

S

S

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P
|
P

V

R

F

F

H

H

P

P

A

S

Y

Y

R
|
R

H

H

T

A

G
x
A

P
x
A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D

D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

E

D

W

L

L

T

P

A

A

D

-

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid: P156 (= P156), R163 (= R163), A166 (≠ G166), A167 (≠ P167)
binding magnesium ion: S95 (= S95), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), A116 (= A116), A117 (= A117), S119 (= S119), G122 (= G122)

4zofA Lobenzarit-like inhibitor bound in the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
57% identity, 99% coverage: 5:341/341 of query aligns to 2:340/342 of 4zofA

query
sites
4zofA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G
|
G

N
|
N

R

R

A
|
A

S

S

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P

P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G

A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

E

D

W

L

L

T

P

A

A

D

-

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid: G113 (= G113), N114 (= N114), A155 (= A155), H159 (= H159), Y162 (= Y162), R169 (= R169), G182 (= G182)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), G85 (= G85), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), A116 (= A116), A117 (= A117), S119 (= S119), G122 (= G122)

4n5vA Alternative substrates of mycobacterium tuberculosis anthranilate phosphoribosyl transferase (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 4:344/347 of 4n5vA

query
sites
4n5vA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H
|
H

G
|
G

N
|
N

R

R

A

A

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V84 (= V82)
binding 2-amino-4-fluorobenzoic acid: V84 (= V82), G85 (= G83), H114 (= H112), G115 (= G113), N116 (= N114), A157 (= A155), A157 (= A155), P158 (= P156), H161 (= H159), Y164 (= Y162), R165 (= R163), A168 (≠ G166), R171 (= R169), G184 (= G182)
binding magnesium ion: S97 (= S95), D229 (= D227), E230 (= E228), E230 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G85 (= G83), G87 (= G85), G88 (= G86), N95 (= N93), S97 (= S95), T98 (= T96), K113 (= K111), A119 (= A117), S120 (= S118), S121 (= S119), G124 (= G122)

4n93A Alternative substrates of mycobacterium tuberculosis anthranilate phosphoribosyl transferase (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 3:343/346 of 4n93A

query
sites
4n93A

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T
|
T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H
|
H

G

G

N
|
N

R

R

A
|
A

S

S

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P
|
P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V83 (= V82)
binding 2-amino-6-methylbenzoic acid: V83 (= V82), G84 (= G83), T85 (= T84), H113 (= H112), N115 (= N114), N115 (= N114), A156 (= A155), P157 (= P156), H160 (= H159), Y163 (= Y162), A167 (≠ G166), R170 (= R169), G183 (= G182), P184 (= P183)
binding magnesium ion: S96 (= S95), D228 (= D227), E229 (= E228), E229 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G84 (= G83), G86 (= G85), G87 (= G86), N94 (= N93), S96 (= S95), T97 (= T96), K112 (= K111), A117 (= A116), A118 (= A117), S120 (= S119), G123 (= G122)

P9WFX5 Anthranilate phosphoribosyltransferase; EC 2.4.2.18 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
56% identity, 99% coverage: 5:341/341 of query aligns to 26:367/370 of P9WFX5

query
sites
P9WFX5

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V

V

G
|
G

T

T

G

G

D

D

R

G

K

V

G

N

S
x
T

V

V

N

N

I

L

S

S

T

T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K

K

H

H

G

G

N

N

R

R

A

A

S

S

K

L

S

S

G

G

A
x
G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P

P

V

R

F

F

H

H

P

P

A

S

Y

Y

R

R

H

H

T

A

G

A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D

D

E

E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

G107 (= G83) binding
T115 (≠ S91) binding
G147 (≠ A123) binding

5c2lA Magnesium soaked into the active site of mycobacterium tuberculosis anthranilate phosphoribosyltransferase (anprt; trpd)
56% identity, 99% coverage: 5:341/341 of query aligns to 4:345/349 of 5c2lA

query
sites
5c2lA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G

G

T

T

G

G

D

D

R

G

K

V

G

N

S

T

V

V

N

N

I

L

S

S

T

T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K

K

H

H

G

G

N

N

R

R

A

A

S

S

K

L

S

S

G

G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P

P

V

R

F

F

H

H

P

P

A

S

Y

Y

R

R

H

H

T

A

G

A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V84 (= V82)
binding magnesium ion: D229 (= D227), E230 (= E228)

4owuA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 5-methylanthranilate, prpp and magnesium (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 3:344/347 of 4owuA

query
sites
4owuA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
|
A

S

S

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P
|
P

V

R

F

F

H

H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V83 (= V82)
binding 2-azanyl-5-methyl-benzoic acid: N115 (= N114), P157 (= P156), Y163 (= Y162), R164 (= R163), A167 (≠ G166)
binding magnesium ion: S96 (= S95), D228 (= D227), E229 (= E228), E229 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G84 (= G83), G86 (= G85), G87 (= G86), N94 (= N93), S96 (= S95), T97 (= T96), K112 (= K111), A118 (= A117), S120 (= S119), G123 (= G122)

4owqA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 3-methylanthranilate, prpp and magnesium (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 3:344/347 of 4owqA

query
sites
4owqA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N

N

R

R

A
|
A

S

S

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G
x
A

P

A

P

V

R

R

R
|
R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V83 (= V82)
binding 2-azanyl-3-methyl-benzoic acid: P157 (= P156), H160 (= H159), Y163 (= Y162), A167 (≠ G166), R171 (= R170)
binding magnesium ion: S96 (= S95), D228 (= D227), E229 (= E228), E229 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V83 (= V82), G84 (= G83), G86 (= G85), G87 (= G86), N94 (= N93), S96 (= S95), T97 (= T96), K112 (= K111), A117 (= A116), A118 (= A117), S120 (= S119), G123 (= G122)

4owoA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 6-fluoroanthranilate, prpp and magnesium (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 4:345/348 of 4owoA

query
sites
4owoA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T
|
T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H
|
H

G

G

N
|
N

R

R

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V84 (= V82)
binding 2-azanyl-6-fluoranyl-benzoic acid: V84 (= V82), G85 (= G83), T86 (= T84), H114 (= H112), N116 (= N114), N116 (= N114), A157 (= A155), P158 (= P156), H161 (= H159), Y164 (= Y162), A168 (≠ G166), R171 (= R169), G184 (= G182)
binding magnesium ion: S97 (= S95), D229 (= D227), E230 (= E228), E230 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V84 (= V82), G85 (= G83), G87 (= G85), G88 (= G86), N95 (= N93), S97 (= S95), T98 (= T96), K113 (= K111), A118 (= A116), A119 (= A117), S120 (= S118), S121 (= S119), G124 (= G122)

4giuA Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (anprt; trpd). (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 3:344/346 of 4giuA

query
sites
4giuA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G
|
G

N
|
N

R

R

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P

P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G

A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V83 (= V82)
binding 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid: G114 (= G113), N115 (= N114), A156 (= A155), H160 (= H159), Y163 (= Y162), R170 (= R169), G183 (= G182)
binding magnesium ion: S96 (= S95), D228 (= D227), E229 (= E228), E229 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G84 (= G83), G86 (= G85), G87 (= G86), N94 (= N93), S96 (= S95), T97 (= T96), K112 (= K111), N115 (= N114), A117 (= A116), A118 (= A117), S119 (= S118), S120 (= S119), G123 (= G122)

4owmA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 3-fluoroanthranilate, prpp and magnesium (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 4owmA

query
sites
4owmA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N

N

R

R

A

A

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R

R

R
|
R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2-azanyl-3-fluoranyl-benzoic acid: P156 (= P156), H159 (= H159), Y162 (= Y162), R163 (= R163), A166 (≠ G166), R170 (= R170)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122)

4gkmA Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (anprt; trpd) (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 4gkmA

query
sites
4gkmA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G

G

T

T

G

G

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H

H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid: N114 (= N114), A155 (= A155), P156 (= P156), Y162 (= Y162), R163 (= R163), A166 (≠ G166), R169 (= R169), R170 (= R170)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122)

3r6cA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs179) (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 3r6cA

query
sites
3r6cA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M
|
M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R
|
R

A
|
A

S
|
S

K

L

S

S

G
|
G

A
x
G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T
|
T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V
x
R

V

V

S
x
A

N

A

G

G

Q

S

V

V

R
x
D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A
x
V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-
x
A

D

E

L
x
W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid: M62 (= M65), N114 (= N114), A155 (= A155), P156 (= P156), H159 (= H159), Y162 (= Y162), A166 (≠ G166), R169 (= R169), G182 (= G182), T185 (= T185), R239 (≠ V239), A241 (≠ S241), D246 (≠ R246), V301 (≠ A301), A310 (vs. gap), W312 (≠ L310)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), G85 (= G85), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), N114 (= N114), R115 (= R115), A116 (= A116), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122), G123 (≠ A123)

3qsaA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor tamu-a7)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 3qsaA

query
sites
3qsaA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M
|
M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122)
binding 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione: M62 (= M65), N114 (= N114), A155 (= A155), P156 (= P156), H159 (= H159), Y162 (= Y162), R163 (= R163), A166 (≠ G166), G182 (= G182)

3qs8A Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs174) (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 3qs8A

query
sites
3qs8A

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M
|
M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N
|
N

R

R

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A
|
A

P
|
P

V

R

F

F

H

H

P

P

A

S

Y
|
Y

R

R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

L
|
L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2-benzylbenzoic acid: M62 (= M65), G83 (= G83), N114 (= N114), N114 (= N114), A155 (= A155), A155 (= A155), P156 (= P156), Y162 (= Y162), Y162 (= Y162), A166 (≠ G166), R169 (= R169), R169 (= R169), R170 (= R170), L181 (= L181), G182 (= G182)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), G85 (= G85), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), N114 (= N114), A116 (= A116), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122), E228 (= E228)

3qqsA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs172) (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 3qqsA

query
sites
3qqsA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G

G

T

T

G
|
G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K
|
K

H

H

G

G

N

N

R
|
R

A

A

A
|
A

S
|
S

K

L

S

S

G
|
G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

Y
|
Y

R
|
R

H

H

T

A

G
x
A

P

A

P

V

R
|
R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D

D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding 2,2'-iminodibenzoic acid: P156 (= P156), H159 (= H159), Y162 (= Y162), R163 (= R163), A166 (≠ G166), R169 (= R169), R170 (= R170)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V82 (= V82), G85 (= G85), G86 (= G86), N93 (= N93), S95 (= S95), T96 (= T96), K111 (= K111), R115 (= R115), A117 (= A117), S118 (= S118), S119 (= S119), G122 (= G122)

1zvwA The crystal structure of trpd (rv2192c) from mycobacterium tuberculosis in complex with prpp and magnesium (see paper)
56% identity, 99% coverage: 5:341/341 of query aligns to 2:343/346 of 1zvwA

query
sites
1zvwA

T

S

W

W

P

P

A

Q

V

I

L

L

N

G

Q

R

L

L

I

T

E

D

R

N

V

R

D

D

L

L

S

A

E

R

D

G

A

Q

T

A

A

A

W

W

A

A

M

M

D

D

Q

Q

V

I

M

M

S

T

G

G

E

N

A

A

T

R

P

P

A

A

Q

Q

I

I

A

A

G

A

F

F

A

A

V

V

A

A

L

M

R
x
T

A
x
M

K
|
K

G

A

E
x
P

T

T

P

A

A

D

E

E

I

V

S

G

G

E

M

L

A

A

K

G

A

V

M

M

L

L

A

S

H

H

S

A

K

H

R

P

I

L

D

P

L

A

G

D

T

T

-

V

-

P

-

D

R

D

T

A

V

V

D

D

I

V

V
|
V

G
|
G

T

T

G

G

D

D

R

G

K

V

G

N

S

T

V

V

N
|
N

I

L

S
|
S

T
|
T

M

M

T

A

S

A

L

I

V

V

A

A

G

G

T

V

P

P

V

V

K

K

H

H

G

G

N

N

R

R

A

A

A
|
A

S
|
S

K

L

S

S

G

G

A

G

A

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

V

V

T

R

I

I

E

D

S

L

E

G

P

P

D

D

D

L

V

V

R

A

R

R

C

S

V

L

E

A

E

E

L

V

G

G

I

I

G

G

F

F

C

C

F

F

A

A

P

P

V

R

F

F

H

H

P

P

A

S

Y

Y

R

R

H

H

T

A

G

A

P

A

P

V

R

R

E

E

L

I

G

G

V

V

S

P

T

T

A

V

F

F

N

N

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

Q

R

P

P

S

R

S

A

G

G

L

L

I

I

G

G

C

C

A

A

Y

F

L

A

D
|
D

K

L

A

A

P

E

V

V

L

M

A

A

E

G

V

V

Y

F

A

A

R

A

R

R

G

R

H

S

S

S

V

V

L

L

L

V

V

V

R

H

G

G

D

D

G

G

F

L

D
|
D

E
|
E

I

L

T

T

S

S

T

T

A

I

W

W

V

R

V

V

S

A

N

A

G

G

Q

S

V

V

R

D

T

K

T

L

T

T

I

F

D

D

P

P

E

A

T

G

L

F

G

G

I

F

P

A

L

R

S

A

T

Q

P

L

D

D

A

Q

L

L

R

A

G

G

D

D

A

A

A

Q

A

A

N

N

A

A

E

A

V

A

V

V

K

R

E

A

L

V

V

L

G

G

K

A

T

R

G

G

P

P

V

V

R

R

D

D

A

A

V

V

L

V

L

L

N

N

A

A

G

G

A

A

L

I

A

V

A

A

F

H

A

A

G

G

F

L

S

S

D

S

-

R

-

A

D

E

L

W

T

L

A

P

D

A

L

W

R

E

A

E

G

G

L

L

E

R

L

R

A

A

T

S

R

A

A

A

I

I

D

D

S

T

G

G

A

A

A

E

D

Q

L

L

T

A

R

R

W

W

I

V

N

R

R

F

G

G

active site: V82 (= V82)
binding benzamidine: T46 (≠ R49), M47 (≠ A50), K48 (= K51), P50 (≠ E53), D201 (= D201)
binding magnesium ion: S95 (= S95), D227 (= D227), E228 (= E228), E228 (= E228)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G83), N93 (= N93), S95 (= S95), T96 (= T96), A117 (= A117), S118 (= S118), S119 (= S119)

Query Sequence

>WP_005454544.1 NCBI__GCF_000244975.1:WP_005454544.1
MPEHTWPAVLNQLIERVDLSEDATAWAMDQVMSGEATPAQIAGFAVALRAKGETPAEISG
MAKAMLAHSKRIDLGTRTVDIVGTGGDRKGSVNISTMTSLVVAAAGTPVVKHGNRAASSK
SGAADVLEALGVTIESEPDDVRRCVEELGIGFCFAPVFHPAYRHTGPPRRELGVSTAFNL
LGPLTNPAQPSSGLIGCAYLDKAPVLAEVYARRGHSVLLVRGDDGFDEITTTTTSTAWVV
SNGQVRTTTIDPETLGIPLSTPDALRGGDAAANAEVVKELVGGKTGPVRDAVLLNAAGAL
AAFAGFSDDLTADLRAGLELATRAIDSGAAADLLTRWINRG

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