SitesBLAST

Q9HTN2 Acetylglutamate kinase; N-acetyl-L-glutamate 5-phosphotransferase; NAG kinase; NAGK; EC 2.7.2.8 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see 2 papers)
52% identity, 88% coverage: 20:282/300 of query aligns to 12:269/301 of Q9HTN2

query
sites
Q9HTN2

A

A

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R90 (= R98) binding
N195 (= N203) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2bufA Arginine feed-back inhibitable acetylglutamate kinase (see paper)
52% identity, 88% coverage: 20:282/300 of query aligns to 11:260/292 of 2bufA

query
sites
2bufA

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active site: K32 (= K41), G35 (= G44), G68 (= G77), D190 (= D207), K246 (≠ P263)
binding n-acetyl-l-glutamate: G66 (= G75), G67 (= G76), R89 (= R98), N186 (= N203), A189 (= A206)

2bufK Arginine feed-back inhibitable acetylglutamate kinase (see paper)
51% identity, 88% coverage: 20:282/300 of query aligns to 11:245/273 of 2bufK

query
sites
2bufK

A

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active site: K32 (= K41), G35 (= G44), G68 (= G77), D175 (= D207), K231 (≠ P263)
binding n-acetyl-l-glutamate: R84 (= R93), N171 (= N203), N173 (= N205), A174 (= A206)

2btyA Acetylglutamate kinase from thermotoga maritima complexed with its inhibitor arginine (see paper)
47% identity, 88% coverage: 17:280/300 of query aligns to 3:252/282 of 2btyA

query
sites
2btyA

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active site: K27 (= K41), G30 (= G44), G63 (= G77), D182 (= D207), K237 (≠ P263)
binding arginine: Y15 (≠ F29), F19 (= F33), K196 (≠ R221), S214 (≠ P240)
binding n-acetyl-l-glutamate: G29 (= G43), G30 (= G44), G61 (= G75), G62 (= G76), N180 (= N205), D182 (= D207)

Sites not aligning to the query:

binding arginine: 266, 267, 270, 271, 274, 276

Q9X2A4 Acetylglutamate kinase; N-acetyl-L-glutamate 5-phosphotransferase; NAG kinase; NAGK; EC 2.7.2.8 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
47% identity, 88% coverage: 17:280/300 of query aligns to 3:252/282 of Q9X2A4

query
sites
Q9X2A4

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L

L

L

T

T

D

D

V

V

A

D

G

G

V

V

L

L

D

-

K

K

S

D

G

G

N

K

L

L

I

I

P
x
S

E

T

M

L

T

T

A

P

A

D

Q

E

V

A

H

E

A

E

Y

L

I

I

A

R

D

D

G

G

T

T

I

V

S

T

G

G

M

M

I

I

R

P

P

K

L

V

Q

E

Y

-

L

-

A

C

L

A

I

V

Y

S

H

A

I

V

R

R

G

G

V

G

H

V

G

G

A

A

V

V

N178 (= N203) binding
K196 (≠ R221) binding
S214 (≠ P240) binding

Sites not aligning to the query:

266:269 binding

2v5hB Controlling the storage of nitrogen as arginine: the complex of pii and acetylglutamate kinase from synechococcus elongatus pcc 7942 (see paper)
45% identity, 81% coverage: 18:261/300 of query aligns to 5:239/289 of 2v5hB

query
sites
2v5hB

D

D

R

R

A

V

K

R

T

I

L

L

S

S

E

E

A

A

L

L

P

P

F

Y

M

L

R

Q

Q

Q

F

F

N

A

D

G

E

R

T

T

L

V

V

V

I

V

K
|
K

F

Y

G

G

G
|
G

H

A

A

A

M

M

E

K

S

Q

D

E

L

L

A

K

R

E

L

A

F

V

A

M

R

R

D

D

V

I

V

V

L

F

L

L

K

A

Q

C

V

V

G

G

I

M

N

R

P

P

V

V

H

H

G
|
G

G

G

G
|
G

P

P

Q

E

I

I

D

N

A

A

M

W

L

L

K

G

R

R

L

V

D

G

I

I

Q

E

T

P

P

Q

R

F

V

H

D

N

G

G

L

L

R
|
R

F

V

T

T

D

D

E

A

A

D

T

T

V

M

E

E

V

V

E

E

M

M

I

V

L

L

A

V

G

G

K

R

I

V

N

N

K

K

Q

D

I

I

V

V

S

S

A

R

I

I

N

N

E

T

A

T

G

G

F

R

A

A

V

V

G

G

L

F

S

C

G

G

K

T

D

D

G

G

H

R

L

L

I

V

R

L

A

A

R

R

K

-

L

-

R

-

T

-

K

P

K

H

D

D

P

Q

D

E

S

G

N

-

I

-

E

-

K

-

V

-

L

-

D

-

L

I

G

G

F

F

V

V

G

G

E

E

P

V

A

N

E

S

I

V

N

N

P

S

H

E

I

V

L

I

D

E

Q

P

F

L

K

L

K

E

S

R

D

G

T

Y

I

I

P

P

V

V

I

I

A

S

P

S

V

V

G

A

M

A

G

D

G

E

A

N

G

G

E

Q

T

S

Y

F

N
|
N

I

I

N

N

A
|
A

D
|
D

T

T

A

V

A

A

G

G

A

E

I

I

A

A

G

A

A

A

T

L

N

N

A

A

K

E

R

K

L

L

L

I

M

L

L

L

T

T

D

D

V

T

A

R

G

G

V

I

L

L

D

E

-

D

-

P

-

K

K

R

S

P

G

E

N

S

L

L

I

I

P

P

E

R

M

L

T

N

A

I

A

P

Q

Q

V

S

H

R

A

E

Y

L

I

I

A

A

D

Q

G

G

T

I

I

V

S

G

G

G

M

M

I

I

active site: K28 (= K41), G31 (= G44), G64 (= G77), D182 (= D207)
binding n-acetyl-l-glutamate: G62 (= G75), R85 (= R98), N178 (= N203), A181 (= A206)

Sites not aligning to the query:

active site: 241

Q9SCL7 Acetylglutamate kinase, chloroplastic; N-acetyl-L-glutamate 5-phosphotransferase; NAG kinase; AtNAGK; EC 2.7.2.8 from Arabidopsis thaliana (Mouse-ear cress) (see 3 papers)
47% identity, 81% coverage: 19:261/300 of query aligns to 69:303/347 of Q9SCL7

query
sites
Q9SCL7

R

R

A

V

K

E

T

I

L

L

S

S

E

E

A

S

L

L

P

P

F

F

M

I

R

Q

Q

K

F

F

N

R

D

G

E

K

T

T

L

I

V

V

I

V

K

K

F

Y

G

G

G
|
G

H
x
A

A

A

M

M

E

T

S

S

D

P

D

E

L

L

A

K

R

S

L

S

F

V

A

V

R

S

D

D

V

L

V

V

L

L

K

A

Q

C

V

V

G

G

I

L

N

R

P

P

V

I

V

L

V

V

H

H

G

G

G
|
G

G

G

P

P

Q

D

I

I

D

N

A

R

M

Y

L

L

K

K

R

Q

L

L

D

N

I

I

Q

P

T

A

P

E

R

F

V

R

D

D

G

G

L

L

R
|
R

F

V

T

T

D

D

E

A

A

T

T

T

V

M

E

E

V

I

V

V

E

S

M

M

I

V

L

L

A

V

G

G

K

K

I

V

N

N

K

K

Q

N

I

L

V

V

S

S

A

L

I

I

N

N

E

A

A

A

G

G

G

A

F

T

A

A

V

V

G

G

L

L

S

S

G

G

K

H

D

D

G

G

H

R

L

L

I

L

R

T

A

A

R

R

K

P

L

V

R

-

T

-

K

-

D

-

P

P

D

N

S

S

N

-

I

-

E

-

K

-

V

-

L

A

D

Q

L

L

G

G

F

F

V

V

G

G

E

E

P

V

A

A

E

R

I

V

N

D

P

P

H

S

I

V

L

L

D

R

Q

P

F

L

K

V

K

D

S

Y

D

G

T

Y

I

I

P

P

V

V

I

I

A

A

P

S

V

V

G

A

M

A

G

D

A

S

G

G

E

Q

T

A

Y

Y

N
|
N

I
|
I

N
|
N

A
|
A

D

D

T

T

A

V

A

A

G

G

A

E

I

L

A

A

G

A

A

A

T

L

N

G

A

A

K

E

R
x
K

L

L

L

I

M

L

L

L

T
|
T

D
|
D

V

V

A

A

G

G

V

I

L
|
L

D

E

K

N

S

K

-

E

-

D

-

P

G

S

N

S

L

L

I

I

P
x
K

E

E

M

I

T

D

A

I

A

K

Q

G

V

V

H

K

A

K

Y

M

I

I

A

E

D

D

G

G

T
x
K

I
x
V

S
x
A

G
|
G

M
|
M

I
|
I

GA 94:95 (≠ GH 44:45) binding
G126 (= G76) binding
R148 (= R98) binding
NINA 242:245 (= NINA 203:206) binding
K260 (≠ R221) binding
TD 265:266 (= TD 226:227) binding
L271 (= L232) binding
K282 (≠ P240) binding

Sites not aligning to the query:

1:50 modified: transit peptide, Chloroplast
297:305 binding
334:337 binding
342 binding

4usjB N-acetylglutamate kinase from arabidopsis thaliana in complex with pii from chlamydomonas reinhardtii (see paper)
47% identity, 81% coverage: 19:261/300 of query aligns to 3:237/281 of 4usjB

query
sites
4usjB

R

R

A

V

K

E

T

I

L

L

S

S

E

E

A

S

L

L

P

P

F

F

M

I

R

Q

Q

K

F
|
F

N

R

D

G

E

K

T

T

L

I

V

V

I

V

K
|
K

F

Y

G

G

G
|
G

H

A

A

A

M

M

E

T

S

S

D

P

D

E

L

L

A

K

R

S

L

S

F

V

A

V

R

S

D

D

V

L

V

V

L

L

K

A

Q

C

V

V

G

G

I

L

N

R

P

P

V

I

V

L

V

V

H

H

G
|
G

P

P

Q

D

I

I

D

N

A

R

M

Y

L

L

K

K

R

Q

L

L

D

N

I

I

Q

P

T

A

P

E

R

F

V

R

D

D

G

G

L

L

R
|
R

F

V

T

T

D

D

E

A

A

T

T

T

V

M

E

E

V

I

V

V

E

S

M

M

I

V

L

L

A

V

G

G

K

K

I

V

N

N

K

K

Q

N

I

L

V

V

S

S

A

L

I

I

N

N

E

A

A

A

G

G

G

A

F

T

A

A

V

V

G

G

L

L

S

S

G

G

K

H

D

D

G

G

H

R

L

L

I

L

R

T

A

A

R

R

K

P

L

V

R

-

T

-

K

-

D

-

P

P

D

N

S

S

N

A

I

-

E

-

K

-

V

-

L

-

D

Q

L

L

G

G

F

F

V

V

G

G

E

E

P

V

A

A

E

R

I

V

N

D

P

P

H

S

I

V

L

L

D

R

Q

P

F

L

K

V

K

D

S

Y

D

G

T

Y

I

I

P

P

V

V

I

I

A

A

P

S

V

V

G

A

M

A

G

D

A

S

G

G

E

Q

T

A

Y

Y

N
|
N

I

I

N

N

A
|
A

D
|
D

T

T

A

V

A

A

G

G

A

E

I

L

A

A

G

A

A

A

T

L

N

G

A

A

K

E

R
x
K

L

L

L

I

M

L

L

L

T

T

D

D

V

V

A

A

G

G

V

I

L

L

D

E

K

N

S

K

-

E

-

D

-

P

G

S

N

S

L

L

I

I

P
x
K

E

E

M

I

T

D

A

I

A

K

Q

G

V

V

H

K

A

K

Y

M

I

I

A

E

D

D

G

G

T

K

I

V

S

A

G

G

M

M

I

I

active site: K25 (= K41), G28 (= G44), G61 (= G77), D180 (= D207)
binding arginine: F17 (= F33), K194 (≠ R221), K216 (≠ P240)
binding n-acetyl-l-glutamyl 5-phosphate: G59 (= G75), G60 (= G76), G61 (= G77), R82 (= R98), N176 (= N203), A179 (= A206)

Sites not aligning to the query:

active site: 239
binding arginine: 268, 269, 271, 273, 274, 278

2rd5B Structural basis for the regulation of n-acetylglutamate kinase by pii in arabidopsis thaliana (see paper)
47% identity, 81% coverage: 19:261/300 of query aligns to 5:239/283 of 2rd5B

query
sites
2rd5B

R

R

A

V

K

E

T

I

L

L

S

S

E

E

A

S

L

L

P

P

F

F

M

I

R

Q

Q

K

F

F

N

R

D

G

E

K

T

T

L

I

V

V

I

V

K
|
K

F

Y

G

G

G
|
G

H
x
A

A

A

M

M

E

T

S

S

D

P

D

E

L

L

A

K

R

S

L

S

F

V

A

V

R

S

D

D

V

L

V

V

L

L

K

A

Q

C

V

V

G

G

I

L

N

R

P

P

V

I

V

L

V

V

H

H

G
|
G

G

G

G
|
G

P

P

Q

D

I

I

D

N

A

R

M

Y

L

L

K

K

R

Q

L

L

D

N

I

I

Q

P

T

A

P

E

R

F

V

R

D

D

G

G

L

L

R
|
R

F

V

T

T

D

D

E

A

A

T

T

T

V

M

E

E

V

I

V

V

E

S

M

M

I

V

L

L

A

V

G

G

K

K

I

V

N

N

K

K

Q

N

I

L

V

V

S

S

A

L

I

I

N

N

E

A

A

A

G

G

G

A

F

T

A

A

V

V

G

G

L

L

S

S

G

G

K

H

D

D

G

G

H

R

L

L

I

L

R

T

A

A

R

R

K

P

L

V

R

-

T

-

K

-

D

-

P

P

D

N

S

S

N

A

I

-

E

-

K

-

V

-

L

-

D

Q

L

L

G

G

F

F

V

V

G

G

E

E

P

V

A

A

E

R

I

V

N

D

P

P

H

S

I

V

L

L

D

R

Q

P

F

L

K

V

K

D

S

Y

D

G

T

Y

I

I

P

P

V

V

I

I

A

A

P

S

V

V

G

A

M

A

G

D

A

S

G

G

E

Q

T

A

Y

Y

N
|
N

I

I

N
|
N

A
|
A

D
|
D

T

T

A

V

A

A

G

G

A

E

I

L

A

A

G

A

A

A

T

L

N

G

A

A

K

E

R
x
K

L

L

L

I

M

L

L

L

T
|
T

D
|
D

V

V

A

A

G

G

V

I

L
|
L

D

E

K

N

S
x
K

-

E

-

D

-

P

G

S

N

S

L

L

I

I

P
x
K

E

E

M

I

T

D

A

I

A

K

Q

G

V

V

H

K

A

K

Y

M

I

I

A

E

D

D

G

G

T

K

I

V

S
x
A

G

G

G
|
G

M
|
M

I

I

active site: K27 (= K41), G30 (= G44), G63 (= G77), D182 (= D207)
binding adenosine-5'-diphosphate: A31 (≠ H45), T201 (= T226), D202 (= D227), L207 (= L232), K210 (≠ S235), A235 (≠ S257), G237 (= G259), M238 (= M260)
binding arginine: K196 (≠ R221), K218 (≠ P240)
binding n-acetyl-l-glutamate: G61 (= G75), R84 (= R98), N178 (= N203), N180 (= N205), A181 (= A206)

Sites not aligning to the query:

active site: 241
binding adenosine-5'-diphosphate: 241
binding arginine: 270, 273, 275, 278, 280

7nlxA Crystal structure of mycobacterium tuberculosis argb in complex with 7-(trifluoromethyl)quinolin-4-ol.
41% identity, 72% coverage: 19:234/300 of query aligns to 8:217/290 of 7nlxA

query
sites
7nlxA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L
|
L

I

F

R

T

A

A

R

-

K

-

L

V

R

R

T

S

K

-

D

-

P

-

D

-

S

V

N

T

I

V

E

D

K

G

V

V

-

A

L

T

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 7-(trifluoromethyl)quinolin-4-ol: V121 (= V132), L130 (= L141), L164 (≠ F181)

7nlnA Crystal structure of mycobacterium tuberculosis argb in complex with n-acetyl-glutamate
41% identity, 72% coverage: 19:234/300 of query aligns to 8:217/290 of 7nlnA

query
sites
7nlnA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G
|
G

P

P

Q

Q

I
|
I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R
|
R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V

V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

-

K

-

L

V

R

R

T

S

K

-

D

-

P

-

D

-

S

V

N

T

I

V

E

D

K

G

V

V

-

A

L

T

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F

L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N
|
N

I

I

N

N

A
|
A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding n-acetyl-l-glutamate: G64 (= G75), G65 (= G76), G66 (= G77), I69 (= I80), R87 (= R98), N186 (= N203), A189 (= A206)

7nlwA Crystal structure of mycobacterium tuberculosis argb in complex with 2-(5-methoxy-1h-indol-3-yl)acetonitrile
41% identity, 72% coverage: 19:234/300 of query aligns to 9:218/290 of 7nlwA

query
sites
7nlwA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L
x
I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

-

K

-

L

V

R

R

T

S

K

-

D

-

P

-

D

-

S

V

N

T

I

V

E

D

K

G

V

V

-

A

L

T

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T
x
R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile: V122 (= V132), I124 (≠ L134), L165 (≠ F181), R170 (≠ T186)

7nlpA Crystal structure of mycobacterium tuberculosis argb in complex with l-canavanine
41% identity, 72% coverage: 19:234/300 of query aligns to 10:219/292 of 7nlpA

query
sites
7nlpA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F
x
W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V

V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

-

K

-

L

V

R

R

T

S

K

-

D

-

P

-

D

-

S

V

N

T

I

V

E

D

K

G

V

V

-

A

L

T

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F

L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R
x
K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding l-canavanine: W20 (≠ F29), K206 (≠ R221)

Sites not aligning to the query:

binding l-canavanine: 228, 265, 278, 279, 281, 282, 283, 286, 287, 288

7nloA Crystal structure of mycobacterium tuberculosis argb in complex with l-arginine
41% identity, 72% coverage: 19:234/300 of query aligns to 7:216/289 of 7nloA

query
sites
7nloA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F
x
W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V

V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

-

K

-

L

V

R

R

T

S

K

-

D

-

P

-

D

-

S

V

N

T

I

V

E

D

K

G

V

V

-

A

L

T

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F

L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R
x
K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding arginine: W17 (≠ F29), K203 (≠ R221)

Sites not aligning to the query:

binding arginine: 225, 262, 275, 276, 278, 280, 283, 284, 285

7nnbA Crystal structure of mycobacterium tuberculosis argb in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol.
40% identity, 72% coverage: 19:234/300 of query aligns to 9:218/291 of 7nnbA

query
sites
7nnbA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

V

K

R

L

-

R

R

R

S

T

V

K

T

K

V

D

D

P

G

D

V

S

A

N

T

I

-

E

-

K

-

V

-

L

-

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 2,8-bis(trifluoromethyl)quinolin-4-ol: V122 (= V132), L165 (≠ F181)

7nn8A Crystal structure of mycobacterium tuberculosis argb in complex with 1h-indole-3-carbonitrile.
40% identity, 72% coverage: 19:234/300 of query aligns to 9:218/291 of 7nn8A

query
sites
7nn8A

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

V

K

R

L

-

R

R

R

S

T

V

K

T

K

V

D

D

P

G

D

V

S

A

N

T

I

-

E

-

K

-

V

-

L

-

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 1~{H}-indole-3-carbonitrile: V122 (= V132), L165 (≠ F181)

7nm0A Crystal structure of mycobacterium tuberculosis argb in complex with 1-(2,6-dihydroxyphenyl)ethan-1-one.
40% identity, 72% coverage: 19:234/300 of query aligns to 9:218/291 of 7nm0A

query
sites
7nm0A

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

V

K

R

L

-

R

R

R

S

T

V

K

T

K

V

D

D

P

G

D

V

S

A

N

T

I

-

E

-

K

-

V

-

L

-

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 1-[2,6-bis(oxidanyl)phenyl]ethanone: V122 (= V132), L165 (≠ F181)

7nlzA Crystal structure of mycobacterium tuberculosis argb in complex with 5-methoxy-6-(trifluoromethyl)indole.
40% identity, 72% coverage: 19:234/300 of query aligns to 9:218/291 of 7nlzA

query
sites
7nlzA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K

Q

Q

F

L

N

H

D

G

E

K

T

V

L

V

V

V

I

V

K

K

F

Y

G

G

H

N

A

A

M

M

E

T

S

D

D

D

D

T

L

L

A

R

R

R

L

A

F

F

A

A

R

A

D

D

V

M

V

A

L

F

L

L

K

R

Q

N

V

C

G

G

I

I

N

H

P

P

V

V

H

H

G

G

P

P

Q

Q

I

I

D

T

A

A

M

M

L

L

K

R

R

R

L

L

D

G

I

I

Q

E

T

G

P

D

R

F

V

K

D

G

G

G

L

F

R

R

F

V

T

T

D

T

E

P

A

E

T

V

V

L

E

D

V

V

V

A

E

R

M

M

I

V

L

L

A

F

G

G

K

Q

I

V

N

G

K

R

Q

E

I

L

V

V

S

N

A

L

I

I

N

N

E

A

A

H

G

G

G

P

F

Y

A

A

V
|
V

G

G

L

I

S

T

G

G

K

E

D

D

G

A

H

Q

L

L

I

F

R

T

A

A

R

V

K

R

L

-

R

R

R

S

T

V

K

T

K

V

D

D

P

G

D

V

S

A

N

T

I

-

E

-

K

-

V

-

L

-

D

D

L

I

G

G

F

L

V

V

G

G

E

D

P

V

A

D

E

Q

I

V

N

N

P

T

H

A

I

A

L

M

D

L

Q

D

F
x
L

K

V

K

A

S

A

D

G

T

R

I

I

P

P

V

V

I

V

A

S

P

T

V

L

G

A

M

P

G

D

G

A

A

D

G

G

E

V

T

V

Y

H

N

N

I

I

N

N

A

A

D

D

T

T

A

A

G

A

A

A

I

V

A

A

G

E

A

A

T

L

N

G

A

A

K

E

R

K

L

L

M

M

L

L

T

T

D

D

V

I

A

D

G

G

V

L

L

Y

D

T

K

R

binding 5-methoxy-6-(trifluoromethyl)-1~{H}-indole: V122 (= V132), L165 (≠ F181)

7nlyA Crystal structure of mycobacterium tuberculosis argb in complex with 2-chlorobenzimidazole.
41% identity, 72% coverage: 19:234/300 of query aligns to 11:220/293 of 7nlyA

query
sites
7nlyA

R

K

A

A

K

Q

T

V

L

L

S

A

E

E

A

A

L

L

P

P

F

W

M

L

R

K