SitesBLAST

1kgzB Crystal structure analysis of the anthranilate phosphoribosyltransferase from erwinia carotovora (current name, pectobacterium carotovorum) (see paper)
38% identity, 85% coverage: 8:322/370 of query aligns to 6:318/330 of 1kgzB

query
sites
1kgzB

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binding manganese (ii) ion: S92 (= S94), D222 (= D226), E223 (= E227), E223 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V79 (≠ C81), G82 (= G84), G83 (= G85), N90 (= N92), I91 (≠ V93), S92 (= S94), T93 (= T95), K108 (= K110), S118 (= S122)

2gvqD Anthranilate phosphoribosyl-transferase (trpd) from s. Solfataricus in complex with anthranilate (see paper)
39% identity, 91% coverage: 3:339/370 of query aligns to 2:334/345 of 2gvqD

query
sites
2gvqD

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binding 2-aminobenzoic acid: H107 (= H111), G108 (= G112), N109 (= N113), N109 (= N113), Q151 (≠ P155), H154 (= H158), M157 (= M161), R164 (= R168), G177 (= G181), P178 (= P182)

P50384 Anthranilate phosphoribosyltransferase; EC 2.4.2.18 from Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) (see 2 papers)
39% identity, 91% coverage: 3:339/370 of query aligns to 2:334/345 of P50384

query
sites
P50384

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T87 (= T90) binding 5-phospho-alpha-D-ribose 1-diphosphate
K106 (= K110) mutation to Q: Affinity for phosphoribosylpyrophosphate is similar to that of the wild-type enzyme and catalytic efficiency dedreases only 10-fold.
H107 (= H111) mutation to A: Limited effect on either affinity for anthranilate and catalytic efficiency. 300-fold decrease of the affinity for anthranilate, whereas catalytic efficiency remains nearly unchanged; when associated with A-178.
S118 (= S122) binding 5-phospho-alpha-D-ribose 1-diphosphate
H154 (= H158) mutation to A: Limited effect on either affinity for anthranilate and catalytic efficiency.
R164 (= R168) mutation to A: Strong decrease of the affinity for anthranilate, although only a moderate 7-fold decrease in catalytic efficiency.
D223 (= D226) mutation to N: Affinity for phosphoribosylpyrophosphate is similar to that of the wild-type enzyme and catalytic efficiency is unchanged.
E224 (= E227) mutation to Q: Affinity for phosphoribosylpyrophosphate is similar to that of the wild-type enzyme and catalytic efficiency is unchanged.

1zxyA Anthranilate phosphoribosyltransferase from sulfolobus solfataricus in complex with prpp and magnesium (see paper)
39% identity, 91% coverage: 3:339/370 of query aligns to 2:334/344 of 1zxyA

query
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1zxyA

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G

M

I

D
|
D

E
|
E

I

V

S

S

N

P

T

I

G

G

E

N

T

T

F

F

V

M

A

K

E

I

L

V

K

S

D

K

G

R

E

G

V

I

S

E

T

E

Y

V

T

K

I

L

T

N

P

V

E

T

A

D

M

F

G

G

M

I

L

S

R

P

A

I

K

P

P

I

E

E

D

K

I

L

K

I

G

V

G

N

T

S

P

A

K

E

E

D

N

S

A

A

R

I

D

K

L

I

L

V

C

R

I

A

F

F

K

L

G

G

Q

K

K

D

G

E

P

H

K

V

R

A

D

E

L

F

V

I

I

K

L

I

N

N

A

T

A

A

A

V

A

A

L

L

Y

F

V

A

S

L

G

D

I

R

V

V

G

G

S

D

I

F

R

R

Q

E

A

G

I

Y

P

E

I

Y

A

A

E

D

D

H

A

L

I

I

D

E

S

-

G

-

K

K

V

S

M

L

V

D

K

K

F

L

N

N

Q

E

F

I

R

I

N

S

F

M

T

N

A

G

E

D

L

V

S

T

binding magnesium ion: D223 (= D226), E224 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: A78 (≠ C81), G79 (= G82), D83 (= D86), T87 (= T90), N89 (= N92), S91 (= S94), T92 (= T95), K106 (= K110), S118 (= S122), D223 (= D226), E224 (= E227)

4owmA Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 3-fluoroanthranilate, prpp and magnesium (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 4owmA

query
sites
4owmA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M

M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G
|
G

T

T

G

G

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R

R

A

A

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A

A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

M
x
Y

K
x
R

R

H

V

A

A
|
A

G

A

V

V

R

R

K
x
R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y

V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R

A

Q

E

A

W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding 2-azanyl-3-fluoranyl-benzoic acid: P156 (= P155), H159 (= H158), Y162 (≠ M161), R163 (≠ K162), A166 (= A165), R170 (≠ K169)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G82), G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121)

4gkmA Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (anprt; trpd) (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 4gkmA

query
sites
4gkmA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M

M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G

G

T

T

G

G

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A
|
A

P
|
P

V

R

F

F

H

H

P

P

A

S

M
x
Y

K
x
R

R

H

V

A

A
|
A

G

A

V

V

R
|
R

K
x
R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y

V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R

A

Q

E

A

W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid: N114 (= N113), A155 (= A154), P156 (= P155), Y162 (≠ M161), R163 (≠ K162), A166 (= A165), R169 (= R168), R170 (≠ K169)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121)

3r6cA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs179) (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 3r6cA

query
sites
3r6cA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M
|
M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G
|
G

T

T

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R
|
R

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S
x
G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

M
x
Y

K

R

R

H

V

A

A
|
A

G

A

V

V

R
|
R

K

R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G
|
G

P

P

L

L

T
|
T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E
x
R

L

V

K
x
A

D

A

G

G

E

S

V

V

S
x
D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y
x
V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R
x
A

Q

E

A
x
W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid: M62 (= M62), N114 (= N113), A155 (= A154), P156 (= P155), H159 (= H158), Y162 (≠ M161), A166 (= A165), R169 (= R168), G182 (= G181), T185 (= T184), R239 (≠ E238), A241 (≠ K240), D246 (≠ S245), V301 (≠ Y300), A310 (≠ R309), W312 (≠ A311)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G82), G85 (= G84), G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), N114 (= N113), R115 (= R114), A116 (= A115), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121), G123 (≠ S122)

3qsaA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor tamu-a7)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 3qsaA

query
sites
3qsaA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M
|
M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G
|
G

T

T

G

G

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A

A

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A
|
A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

M
x
Y

K
x
R

R

H

V

A

A
|
A

G

A

V

V

R

R

K

R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y

V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R

A

Q

E

A

W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G82), G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121)
binding 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione: M62 (= M62), N114 (= N113), A155 (= A154), P156 (= P155), H159 (= H158), Y162 (≠ M161), R163 (≠ K162), A166 (= A165), G182 (= G181)

3qs8A Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs174) (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 3qs8A

query
sites
3qs8A

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M
|
M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G
|
G

T

T

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N
|
N

R

R

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A
|
A

P
|
P

V

R

F

F

H

H

P

P

A

S

M
x
Y

K

R

R

H

V

A

A
|
A

G

A

V

V

R
|
R

K
x
R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L
|
L

G
|
G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y

V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R

A

Q

E

A

W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding 2-benzylbenzoic acid: M62 (= M62), G83 (= G82), N114 (= N113), N114 (= N113), A155 (= A154), A155 (= A154), P156 (= P155), Y162 (≠ M161), Y162 (≠ M161), A166 (= A165), R169 (= R168), R169 (= R168), R170 (≠ K169), L181 (= L180), G182 (= G181)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: G83 (= G82), G85 (= G84), G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), N114 (= N113), A116 (= A115), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121), E228 (= E227)

3qqsA Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor acs172) (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 3qqsA

query
sites
3qqsA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R

T

A

M

K

K

G

A

E

P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M

M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G

G

T

T

G
|
G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K
|
K

H

H

G

G

N

N

R
|
R

A

A

A
|
A

T
x
S

S
|
S

M

L

S

S

G
|
G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A

A

P
|
P

V

R

F

F

H
|
H

P

P

A

S

M
x
Y

K
x
R

R

H

V

A

A
|
A

G

A

V

V

R
|
R

K
x
R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K

D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V

L

R

C

A

I

V

F

L

K

G

G

G

Q

A

K

R

G

G

P

P

K

V

R

R

D

D

L

A

V

V

I

V

L

L

N

N

A

A

A

G

A

A

L

I

Y

V

V

A

S

H

G

A

I

G

V

L

G

S

S

S

I

R

R

A

Q

E

A

W

I

L

P

P

I

A

A

W

E

E

D

E

-

G

-

L

-

R

-

A

-

S

-

A

A

A

I

I

D

D

S

T

G

G

-

A

-

E

K

Q

V

L

M

L

V

A

K

R

F

W

N

V

Q

R

F

F

active site: V82 (≠ C81)
binding 2,2'-iminodibenzoic acid: P156 (= P155), H159 (= H158), Y162 (≠ M161), R163 (≠ K162), A166 (= A165), R169 (= R168), R170 (≠ K169)
binding magnesium ion: S95 (= S94), D227 (= D226), E228 (= E227), E228 (= E227)
binding 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose: V82 (≠ C81), G85 (= G84), G86 (= G85), N93 (= N92), S95 (= S94), T96 (= T95), K111 (= K110), R115 (= R114), A117 (= A116), S118 (≠ T117), S119 (= S118), G122 (= G121)

1zvwA The crystal structure of trpd (rv2192c) from mycobacterium tuberculosis in complex with prpp and magnesium (see paper)
38% identity, 89% coverage: 4:331/370 of query aligns to 3:342/346 of 1zvwA

query
sites
1zvwA

M

W

K

P

E

Q

Y

I

I

L

K

G

K

R

L

L

E

T

E

D

G

N

S

R

D

D

L

L

S

A

S

R

E

G

E

Q

A

A

E

A

A

W

A

A

I

M

G

D

E

Q

I

I

L

M

S

T

-

G

T

N

A

A

E

R

D

P

E

A

E

Q

I

I

G

A

A

A

F

F

L

A

L

V

A

A

L

M

R
x
T

A
x
M

K
|
K

G

A

E
x
P

K

T

P

A

Q

D

E

E

I

V

A

G

G

E

F

L

V

A

R

G

G

V

M

M

K

L

Q

S

A

H

G

A

N

H

T

P

I

L

K

P

P

A

V

D

T

T

-

V

P

P

F

D

R

D

V

A

I

V

D

D

T

V

C
x
V

G
|
G

T

T

G

G

D

D

G

G

L

V

N

N

T

T

I

V

N
|
N

V

L

S
|
S

T
|
T

A

M

A

A

I

I

V

V

T

V

A

A

G

G

V

V

P

P

V

V

A

V

K

K

H

H

G

G

N

N

R

R

A

A

A
|
A

T
x
S

S
|
S

M

L

S

S

G

G

S

G

S

A

D

D

V

T

L

L

E

E

A

A

L

L

G

G

I

V

K

R

V

I

D

D

L

L

T

G

P

P

G

D

Q

L

V

V

R

A

K

R

T

S

I

L

E

A

K

E

I

V

G

G

I

I

G

G

F

F

M

C

F

F

A

A

P

P

V

R

F

F

H

H

P

P

A

S

M

Y

K

R

R

H

V

A

A

A

G

A

V

V

R

R

K

R

K

E

L

I

G

G

V

V

R

P

T

T

V

V

F

F

N

N

I

L

L

L

G

G

P

P

L

L

T

T

N

N

P

P

A

A

G

R

A

P

K

R

G

A

Q

G

V

L

V

I

G

G

V

C

F

A

D

F

K

A

K
x
D

L

L

C

A

E

E

P

V

I

M

A

A

Y

G

A

V

L

F

A

A

E

A

L

R

G

R

T

S

E

S

H

-

A

V

L

L

V

V

H

H

G

G

-

D

D

D

G

G

M

L

D
|
D

E
|
E

I

L

S

T

N

T

T

T

G

T

E

T

T

S

F

T

V

I

A

W

E

R

L

V

K

A

D

A

G

G

E

S

V

V

S

D

T

K

Y

L

T

T

I

F

T

D

P

P

E

A

A

G

M

F

G

G

M

F

L

A

R

R

A

A

K

Q

P

L

E

D

D

Q

I

L

K

A

G

G

T

D

P

A

K

Q

E

A

N

N

A

A

R

A

D

A

L

V