SitesBLAST

W22 (≠ R18) mutation to A: Decreased heat stability.
E26 (≠ H22) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ E26) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (≠ Q30) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (≠ V218) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (≠ K231) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E268) mutation to G: Becomes active at low temperatures; when associated with C-228 or D-241.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
48% identity, 98% coverage: 4:300/304 of query aligns to 2:302/304 of 8qeuA

query
sites
8qeuA

R

K

H

D

F

F

L

L

S

A

F

I

L

D

D

D

L

F

S

D

A

T

E

A

E

T

T

I

R

K

A

T

V

I

L

L

H

D

R

K

A

A

I

S

E

E

L

V

K

K

R

A

Q

L

L

L

K

K

A

S

G

G

E

E

H

R

H

N

D

Y

D

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L

P

L

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K

G

G

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K

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M

G

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M

M

I

I

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F

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A

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M

R

R

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T

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R

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V

S

S

F

F

E

E

V

T

G

G

M

F

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F

Q

L

L

L

G

G

N

H

A

A

L

L

F

Y

L

L

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G

P

P

R

N

D

D

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I

Q

Q

L

M

G

G

R

K

G

R

E

E

P

E

I

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E

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D

D

T

V

A

A

R

R

V

V

L

L

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S

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R

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Y

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N

D

D

C

I

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I

M

M

I

A

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Y

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E

A

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H

E

Q

K

D

V

I

E

L

L

D

F

L

A

A

R

N

H

Y

S

S

V

V

P

P

V

V

I

V

N

N

G

G

L
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L

T

T

D

D

L

H

E

N

H

H

P

P

A

C

Q

Q

L

I

L

M

A

A

D

D

L

A

Q

L

T

T

F

M

F

I

E

E

Y

H

R

I

G

G

D

Q

I

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R

E

G

G

K

T

R

K

V

V

A

V

W

Y

I

V

G

G

D

D

G

G

N

N

N
|
N

M

M

C

V

H

H

S

S

Y

W

M

L

Y

E

A

L

A

A

H

S

L

V

L

I

D

P

F

F

E

H

L

F

M

V

A

C

A

A

C

C

P

P

E

K

D

G

Y

Y

E

E

P

P

E

D

-

K

-

E

-

R

-

V

S

S

S

K

V

A

L

K

E

Q

A

A

T

G

R

L

D

S

H

K

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I

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E

V

I

T

T

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N

D

D

A

P

G

K

E

E

A

A

A

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A

I

G

G

A

A

D

D

L

V

V

V

V

Y

T

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D
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D

V

V

W

W

A

A

S
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S

M
|
M

G

G

Q

Q

E

K

Q

D

E

E

K

A

S

E

A

A

R

R

Q

K

A

A

F

F

A

Q

G

G

F

F

F

Q

V

V

D

D

Q

E

A

A

L

L

M

M

D

K

R

L

A

A

Q

G

P

Q

N

K

A

A

L

Y

F

F

M

M

H

H

C

C

L
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L

P

P

A

A

H

E

R

R

E

G

E

V

E

E

V

V

A

T

T

N

D

G

V

V

L

V

E

E

G

A

P

P

Q

Y

S

S

V

I

V

V

W

F

D

P

E

Q

A

A

E

E

N

N

R

R

L

M

H

H

A

A

Q

Q

K

N

A

A

L

I

M

M

E

L

F

H

L

L

V

L

binding L-ornithine: L125 (= L127), N161 (= N163), D222 (= D220), S226 (= S224), M227 (= M225), L263 (= L261)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
46% identity, 98% coverage: 4:300/304 of query aligns to 2:295/297 of 8qevA

query
sites
8qevA

R

K

H

D

F

F

L

L

S

A

F

I

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D

D

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A

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A

A

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E

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A

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L

L

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K

A

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G

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E

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N

D

Y

D

L

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L

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G

G

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G

S

M

M

I

I

F

F

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A

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P

S
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S

T
x
M

R
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R

T
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T

R

R

V

V

S

S

F

F

E

E

V

T

G

G

M

F

Q

F

Q

L

L

L

G

G

N

H

A

A

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Y

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Q

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M

G

G

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G

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D

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A

A

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L

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R

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A

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D

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L

D

F

L

A

A

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P

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V

N

N

G

G

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L

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D

L

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A

A

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G

G

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K

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A

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G

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D

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G

N

N

M

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A

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A

A

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C

P

P

E

K

D

G

Y

Y

E

E

P

P

E

D

-

K

-

E

-

R

-

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E

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A

A

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R

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I

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N

D

D

A

P

G

K

E

E

A

A

A

V

A

I

G

G

A

A

D

D

L

V

V

V

V

Y

T

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D

D

V

V

W

W

A

A

S

A

M

-

G

-

Q

-

E

-

Q

-

E

-

K

-

S

E

A

A

R

R

Q

K

A

A

F

F

A

Q

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G

F

F

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Q

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V

D

D

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A

A

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M

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A

A

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C

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L

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A

A

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E

E

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V

A

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N

D

G

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E

G

A

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P

Q

Y

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D

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E

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A

A

E

E

N

N

R
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R

L

M

H

H

A

A

Q

Q

K

N

A

A

L

I

M

M

E

L

F

H

L

L

V

L

binding phosphoric acid mono(formamide)ester: S52 (= S54), M53 (≠ T55), R54 (= R56), T55 (= T57), R103 (= R105), C255 (= C260), L256 (= L261), R283 (= R288)

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
44% identity, 99% coverage: 1:301/304 of query aligns to 9:310/316 of Q81M99

query
sites
Q81M99

M

L

N

N

P

T

R

K

H

D

F

L

L

L

S

T

F

L

L

E

D

E

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I

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F

A

A

I

I

E

Y

L

L

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K

R

K

Q

N

L

-

K

-

A

-

G

-

E

-

H

K

H

Q

D

E

D

P

L

L

R

Q

G

G

K

K

T

I

L

L

G

G

M

L

I

I

F

F

E

D

K

K

S

H

S
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S

T
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T

R
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R

T
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T

R

R

V

V

S

S

F

F

E

E

V

A

G

G

M

M

Q

V

Q

Q

L

L

G

G

N

H

A

G

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M

F

F

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L

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Q

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M

G

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G

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E

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D

D

T

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A

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L

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R

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M

Y

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D

C

G

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M

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R

T

T

Y

F

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H

E

A

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D

V

V

E

E

L

E

F

L

A

A

R

K

H

E

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S

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I

P

P

V

V

I

I

N

N

G

G

L

L

T

T

D

D

L

D

E

H

H
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H

P
|
P

A
x
C

Q
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Q

L

A

L

L

A

A

D

D

L

L

Q

M

T

T

F

I

F

Y

E

E

Y

E

R

T

G

N

D

T

I

F

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K

G

G

K

I

R

K

V

L

A

A

W

Y

I

V

G

G

D

D

G

G

N

N

N
|
N

M

V

C

C

H

H

S

S

Y

L

M

L

Y

L

A

A

A

S

H

A

L

K

L

V

D

G

F

M

E

H

L

M

M

T

A

V

A

A

C

T

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P

E

V

D

G

Y

Y

E

K

P

P

E

N

S

E

V

I

L

V

E

K

A

K

-

A

-

L

-

A

-

I

-

A

-

K

-

E

T

T

R

G

D

A

H

E

V

I

T

E

V

I

T

L

R

H

D

N

A

P

G

E

E

L

A

A

A

V

A

N

G

E

A

A

D

D

L

F

V

I

V

Y

T

T

D
|
D

V

V

W

W

A

M

S
|
S

M
|
M

G

G

Q

Q

E

E

Q

G

E

E

K

E

S

E

A

-

R

K

R

Y

Q

T

A

L

F

F

A

Q

G

P

F

Y

F

Q

V

I

D

N

Q

K

A

E

L

L

M

V

D

K

R

H

A

A

Q

K

P

Q

N

T

A

Y

L

H

F

F

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

E

E

V

V

A

T

T

G

D

E

V

I

L

I

E

D

G

G

P

P

Q

Q

S

S

V

I

V

V

W

F

D

E

E

Q

A

A

E

G

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

S

L

L

V

F

R

K

STRT 57:60 (= STRT 54:57) binding carbamoyl phosphate
Q84 (= Q81) binding carbamoyl phosphate
R108 (= R105) binding carbamoyl phosphate
HPCQ 135:138 (≠ HPAQ 132:135) binding carbamoyl phosphate
N166 (= N163) binding L-ornithine
D230 (= D220) binding L-ornithine
SM 234:235 (= SM 224:225) binding L-ornithine
CL 269:270 (= CL 260:261) binding carbamoyl phosphate
R297 (= R288) binding carbamoyl phosphate

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
43% identity, 99% coverage: 1:301/304 of query aligns to 5:306/307 of 4nf2A

query
sites
4nf2A

M

L

N

N

P

T

R

K

H

D

F

L

L

L

S

T

F

L

L

E

D

E

L

L

S

T

A

Q

E

E

T

I

R

I

A

S

V

L

L

I

H

E

R

F

A

A

I

I

E

Y

L

L

K

K

R

K

Q

N

L

-

K

-

A

-

G

-

E

-

H

K

H

Q

D

E

D

P

L

L

R

Q

G

G

K

K

T

I

L

L

G

G

M

L

I

I

F

F

E

D

K

K

S

H

S
|
S

T
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T

R
|
R

T
|
T

R

R

V

V

S

S

F

F

E

E

V

A

G

G

M

M

Q

V

Q

Q

L

L

G

G

N

H

A

G

L

M

F

F

L

L

S

N

P

G

R

K

D

E

T

M

Q

Q

L

M

G

Q

R
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R

G

G

E

E

P

T

I

V

E

S

D

D

T

T

A

A

R

K

V

V

L

L

S

S

R

H

M

Y

V

I

D

D

C

G

V

I

M

M

I

I

R
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R

T

T

Y

F

E

S

H

H

E

A

K

D

V

V

E

E

L

E

F

L

A

A

R

K

H

E

S

S

V

I

P

P

V

V

I

I

N

N

G

G

L
|
L

T

T

D

D

L

D

E

H

H
|
H

P

P

A

C

Q
|
Q

L

A

L

L

A

A

D

D

L

L

Q

M

T

T

F

I

F

Y

E

E

Y

E

R

T

G

N

D

T

I

F

R

K

G

G

K

I

R

K

V

L

A

A

W

Y

I

V

G

G

D

D

G

G

N

N

N
|
N

M

V

C

C

H

H

S

S

Y

L

M

L

Y

L

A

A

A

S

H

A

L

K

L

V

D

G

F

M

E

H

L

M

M

T

A

V

A

A

C

T

P

P

E

V

D

G

Y

Y

E

R

P

P

E

N

S

E

V

I

L

V

E

K

A

K

-

A

-

L

-

A

-

I

-

A

-

K

-

E

T

T

R

G

D

A

H

E

V

I

T

E

V

I

T

L

R

H

D

N

A

P

G

E

E

L

A

A

A

V

A

N

G

E

A

A

D

D

L

F

V

I

V

Y

T

T

D
|
D

V

V

W

W

A

M

S
|
S

M
|
M

G

G

Q

Q

E

E

Q

G

E

E

K

E

S

E

A

-

R

K

R

Y

Q

T

A

L

F

F

A

Q

G

P

F

Y

F

Q

V

I

D

N

Q

K

A

E

L

L

M

V

D

K

R

H

A

A

Q

K

P

Q

N

T

A

Y

L

H

F

F

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

E

E

V

V

A

T

T

G

D

E

V

I

L

I

E

D

G

G

P

P

Q

Q

S

S

V

I

V

V

W

F

D

E

E

Q

A

A

E

G

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

S

L

L

V

F

R

K

active site: R55 (= R56), T56 (= T57), R83 (= R84), R104 (= R105), H131 (= H132), Q134 (= Q135), D226 (= D220), C265 (= C260), R293 (= R288)
binding phosphoric acid mono(formamide)ester: S53 (= S54), T54 (= T55), R55 (= R56), T56 (= T57), R104 (= R105), H131 (= H132), Q134 (= Q135), C265 (= C260), L266 (= L261), R293 (= R288)
binding norvaline: L126 (= L127), N162 (= N163), D226 (= D220), S230 (= S224), M231 (= M225)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
41% identity, 98% coverage: 4:300/304 of query aligns to 40:342/354 of P00481

query
sites
P00481

R

R

H

D

F

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L

L

S

T

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L

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K

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A

L

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-

A

-

K

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-

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C

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-

H

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R92 (= R56) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C260) mutation to S: Increases KM for ornithine 5-fold and decreases kcat 20-fold.

Sites not aligning to the query:

1:32 modified: transit peptide, Mitochondrion

P00480 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Homo sapiens (Human) (see 31 papers)
42% identity, 98% coverage: 4:300/304 of query aligns to 40:342/354 of P00480

query
sites
P00480

R
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R

H

D

F

L

L
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L

S

T

F

L

L
x
K

D

N

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x
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L

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x
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L

R40 (= R4) to H: in OTCD; late onset; dbSNP:rs72554308
L43 (= L7) to F: in dbSNP:rs72554309
K46 (≠ L10) to R: in dbSNP:rs1800321
Y55 (≠ A19) to D: in OTCD; late onset; dbSNP:rs72554319
L63 (= L27) to P: in OTCD; late onset; dbSNP:rs72554324
K88 (= K52) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (= STRT 54:57) binding carbamoyl phosphate
G100 (= G64) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M65) to L: in dbSNP:rs1133135
L111 (= L75) to P: in dbSNP:rs1800324
T125 (≠ E89) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D90) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (= R93) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (≠ I104) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R105) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H132) binding carbamoyl phosphate
Q171 (= Q135) binding carbamoyl phosphate
I172 (≠ L136) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ L140) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TF 142:143) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ R147) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G152) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G159) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D160) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (≠ C165) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ A171) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (≠ H173) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ F177) to K: in OTCD; late onset
H214 (≠ E178) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P184) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (= P189) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (≠ V201) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T219) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V221) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W222) to L: in OTCD; mild; dbSNP:rs72558446
G269 (= G226) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (= Q227) to R: in dbSNP:rs1800328
E272 (≠ Q229) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (= R234) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H259) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C260) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 260:261) binding carbamoyl phosphate
E309 (= E267) natural variant: Missing (in OTCD; late onset)
R330 (= R288) binding carbamoyl phosphate
T333 (≠ A291) natural variant: T -> A
S340 (≠ F298) to P: in OTCD; late onset; dbSNP:rs72558489

Sites not aligning to the query:

1:32 modified: transit peptide, Mitochondrion
15 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-23 and G-26.
23 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-15 and G-26.
26 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-15 and G-23.
39 G → C: in OTCD; late onset; dbSNP:rs72554306
343 T → K: in OTCD; late onset; dbSNP:rs72558491

1othA Crystal structure of human ornithine transcarbamoylase complexed with n-phosphonacetyl-l-ornithine (see paper)
42% identity, 98% coverage: 4:300/304 of query aligns to 7:309/321 of 1othA

query
sites
1othA

R

R

H

D

F

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L

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L

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A

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K

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L

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active site: R59 (= R56), T60 (= T57), V87 (≠ R84), R108 (= R105), H135 (= H132), Q138 (= Q135), D230 (= D220), C270 (= C260), R297 (= R288)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S54), T58 (= T55), R59 (= R56), T60 (= T57), R108 (= R105), L130 (= L127), H135 (= H132), N166 (= N163), D230 (= D220), S234 (= S224), M235 (= M225), C270 (= C260), L271 (= L261), R297 (= R288)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
42% identity, 98% coverage: 4:300/304 of query aligns to 7:309/321 of 1c9yA

query
sites
1c9yA

R

R

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L

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T

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L

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L

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Q

D

D

T

I

Q

H

L

L

G

G

R
x
V

G

N

E

E

P

S

I

L

E

T

D

D

T

T

A

A

R

R

V

V

L

L

S

S

R

S

M

M

V

A

D

D

C

A

V

V

M

L

I

A

R
|
R

T

V

Y

Y

E

K

H

Q

E

S

K

D

V

L

E

D

L

T

F

L

A

A

R

K

H

E

S

A

S

S

V

I

P

P

V

I

I

I

N

N

G

G

L
|
L

T

S

D

D

L

L

E

Y

H
|
H

P

P

A

I

Q
|
Q

L

I

L

L

A

A

D

D

L

Y

Q

L

T

T

F

L

F

Q

E

E

Y

H

R

Y

G

S

D

S

I

L

R

K

G

G

K

L

R

T

V

L

A

S

W

W

I

I

G

G

D

D

G

G

N

N

N
|
N

M

I

C

L

H

H

S

S

Y

I

M

M

Y

M

A

S

A

A

H

A

L

K

L

F

D

G

F

M

E

H

L

L

M

Q

A

A

C

T

P

P

E

K

D

G

Y

Y

E

E

P

P

E

D

S

A

S

S

V

V

L

T

E

K

A

L

T

A

R

E

D

Q

H

Y

-

A

-

K

-

E

-

N

-

G

-

T

-

K

V

L

T

L

V

L

T

T

R

N

D

D

A

P

G

L

E

E

A

A

A

H

G

G

A

G

D

N

L

V

V

L

V

I

T

T

D
|
D

V

T

W

W

A

I

S
|
S

M
|
M

G

G

Q

R

E

E

Q

E

E

E

K

K

S

K

A

K

R

R

R

L

Q

Q

A

A

F

F

A

Q

G

G

F

Y

F

Q

V

V

D

T

Q

M

A

K

L

T

M

A

D

K

R

V

A

A

Q

A

P

S

N

D

A

W

L

T

F

F

M

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

E

P

E

E

V

V

A

D

T

D

D

E

V

V

L

F

E

Y

G

S

P

P

Q

R

S

S

V

L

V

V

W

F

D

P

E

E

A

A

E

E

N

N

R
|
R

L

K

H

W

A

T

Q

I

K

M

A

A

L

V

M

M

E

V

F

S

L

L

V

L

active site: R59 (= R56), T60 (= T57), V87 (≠ R84), R108 (= R105), H135 (= H132), Q138 (= Q135), D230 (= D220), C270 (= C260), R297 (= R288)
binding phosphoric acid mono(formamide)ester: S57 (= S54), T58 (= T55), R59 (= R56), T60 (= T57), R108 (= R105), C270 (= C260), L271 (= L261), R297 (= R288)
binding norvaline: L130 (= L127), N166 (= N163), D230 (= D220), S234 (= S224), M235 (= M225)

2i6uA Crystal structure of ornithine carbamoyltransferase complexed with carbamoyl phosphate and l-norvaline from mycobacterium tuberculosis (rv1656) at 2.2 a (see paper)
47% identity, 98% coverage: 4:300/304 of query aligns to 3:304/307 of 2i6uA

query
sites
2i6uA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

T

Q

R

A

A

E

V

V

L

L

H

E

R

L

A

A

I

A

E

E

L

L

K

K

R

K

Q

D

L

P

K

V

A

S

G

R

E

R

H

P

H

-

D

-

L

-

L

L

R

Q

G

G

-

P

K

R

T

G

L

V

G

A

M

V

I

I

F

F

E

D

K

K

S

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

V

L

G

G

M

I

Q

A

Q

Q

L

L

G

G

N

H

A

A

L

V

F

V

L

V

S

D

P

S

R

G

D

S

T

T

Q

Q

L

L

G

G

R
|
R

G

D

E

E

P

T

I

L

E

Q

D

D

T

T

A

A

R

K

V

V

L

L

S

S

R

R

M

Y

V

V

D

D

C

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

H

Q

E

E

K

R

V

L

E

D

L

A

F

M

A

A

R

S

H

V

S

A

S

T

V

V

P

P

V

V

I

I

N

N

G

A

L
|
L

T

S

D

D

L

E

E

F

H
|
H

P

P

A

C

Q
|
Q

L

V

L

L

A

A

D

D

L

L

Q

Q

T

T

F

I

F

A

E

E

Y

R

R

K

G

G

D

A

I

L

R

R

G

G

K

L

R

R

V

L

A

S

W

Y

I

F

G

G

D

D

G

G

-

A

N

N

N
|
N

M

M

C

A

H

H

S

S

Y

L

M

L

Y

L

A

G

H

V

L

T

L

A

D

G

F

I

E

H

L

V

M

T

A

V

A

A

C

A

P

P

E

E

D

G

Y

F

E

L

P

P

E

D

S

P

S

S

V

V

L

R

E

A

A

A

-

A

-

E

-

R

-

A

-

Q

-

D

T

T

R

G

D

A

H

S

V

V

T

T

V

V

T

T

R

A

D

D

A

A

G

H

E

A

A

A

G

G

A

A

D

D

L

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S
|
S

M
|
M

G

G

Q

Q

E

E

Q

N

E

D

K

G

S

L

A

D

R

R

R

V

Q

K

A

P

F

F

A

R

G

P

F

F

F

Q

V

L

D

N

Q

S

A

R

L

L

M

L

D

A

R

L

A

A

Q

D

P

S

N

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

E

G

E

D

E

E

V

I

A

T

T

D

D

A

V

V

L

M

E

D

G

G

P

P

Q

A

S

S

V

A

V

V

W

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

W

L

L

V

L

active site: R52 (= R56), T53 (= T57), R80 (= R84), R101 (= R105), H128 (= H132), Q131 (= Q135), D224 (= D220), C264 (= C260), R292 (= R288)
binding phosphoric acid mono(formamide)ester: S50 (= S54), T51 (= T55), R52 (= R56), T53 (= T57), R101 (= R105), C264 (= C260), L265 (= L261), R292 (= R288)
binding norvaline: L123 (= L127), N160 (= N163), D224 (= D220), S228 (= S224), M229 (= M225)

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
47% identity, 98% coverage: 4:300/304 of query aligns to 4:305/308 of 7nouA

query
sites
7nouA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

T

Q

R

A

A

E

V

V

L

L

H

E

R

L

A

A

I

A

E

E

L

L

K

K

R

K

Q

D

L

P

K

V

A

S

G

R

E

R

H

P

H

-

D

-

L

-

L

L

R

Q

G

G

-

P

K

R

T

G

L

V

G

A

M

V

I
|
I

F

F

E

D

K

K

S

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

Q

A

Q

Q

L

L

G

G

N

H

A

A

L

V

F

V

L

V

S

D

P

S

R

G

D

S

T

T

Q

Q

L
|
L

G

G

R

R

G
x
D

E
|
E

P

T

I

L

E

Q

D

D

T

T

A

A

R

K

V
|
V

L

L

S

S

R

R

M
x
Y

V

V

D

D

C

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

H

Q

E

E

K

R

V

L

E

D

L

A

F

M

A

A

R

S

H

V

S

A

S

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

L

E

E

F

H
|
H

P

P

A

C

Q
|
Q

L

V

L

L

A

A

D

D

L

L

Q

Q

T

T

F

I

F

A

E

E

Y

R

R

K

G

G

D

A

I

L

R

R

G

G

K

L

R

R

V

L

A

S

W

Y

I

F

G

G

D

D

G

G

-

A

N

N

M

M

C

A

H

H

S

S

Y

L

M

L

Y

L

A

G

H

V

L

T

L

A

D

G

F

I

E

H

L

V

M

T

A

V

A

A

C

A

P

P

E

E

D

G

Y

F

E

L

P

P

E

D

S

P

S

S

V

V

L

R

E

A

A

A

-

A

-

E

-

R

-

A

-

Q

-

D

T

T

R

G

D

A

H

S

V

V

T

T

V

V

T

T

R

A

D

D

A

A

G

H

E

A

A

A

G

G

A

A

D

D

L

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

Q

N

E

D

K

G

S

L

A

D

R

R

R

V

Q

K

A

P

F

F

A

R

G

P

F

F

F

Q

V

L

D

N

Q

S

A

R

L

L

M

L

D

A

R

L

A

A

Q

D

P

S

N

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

E

G

E

D

E

E

V

I

A

T

T

D

D

A

V

V

L

M

E

D

G

G

P

P

Q

A

S

S

V

A

V

V

W

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

W

L

L

V

L

active site: R102 (= R105), H129 (= H132), Q132 (= Q135), D225 (= D220), C265 (= C260), R293 (= R288)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (= I49), T52 (= T55), R53 (= R56), R53 (= R56), F56 (≠ V59), F56 (≠ V59), L79 (= L82), D82 (≠ G85), E83 (= E86), V91 (= V94), Y95 (≠ M98), L266 (= L261), R293 (= R288)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
47% identity, 98% coverage: 4:300/304 of query aligns to 4:305/308 of 7nosA

query
sites
7nosA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

T

Q

R

A

A

E

V

V

L

L

H

E

R

L

A

A

I

A

E

E

L

L

K

K

R

K

Q

D

L

P

K

V

A

S

G

R

E

R

H

P

H

-

D

-

L

-

L

L

R

Q

G

G

-

P

K

R

T

G

L

V

G

A

M

V

I
|
I

F

F

E

D

K

K

S

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

V

L

G

G

M

I

Q

A

Q

Q

L

L

G

G

N

H

A

A

L

V

F

V

L

V

S

D

P

S

R

G

D

S

T

T

Q

Q

L

L

G

G

R

R

G
x
D

E
|
E

P

T

I

L

E

Q

D

D

T

T

A

A

R

K

V
|
V

L
|
L

S

S

R

R

M

Y

V

V

D

D

C

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

H

Q

E

E

K

R

V

L

E

D

L

A

F

M

A

A

R

S

H

V

S

A

S

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

L

E

E

F

H
|
H

P

P

A

C

Q
|
Q

L

V

L

L

A

A

D

D

L

L

Q

Q

T

T

F

I

F

A

E

E

Y

R

R

K

G

G

D

A

I

L

R

R

G

G

K

L

R

R

V

L

A

S

W

Y

I

F

G

G

D

D

G

G

-

A

N

N

M

M

C

A

H

H

S

S

Y

L

M

L

Y

L

A

G

H

V

L

T

L

A

D

G

F

I

E

H

L

V

M

T

A

V

A

A

C

A

P

P

E

E

D

G

Y

F

E

L

P

P

E

D

S

P

S

S

V

V

L

R

E

A

A

A

-

A

-

E

-

R

-

A

-

Q

-

D

T

T

R

G

D

A

H

S

V

V

T

T

V

V

T

T

R

A

D

D

A

A

G

H

E

A

A

A

G

G

A

A

D

D

L

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

Q

N

E

D

K

G

S

L

A

D

R

R

R

V

Q

K

A

P

F

F

A

R

G

P

F

F

F

Q

V

L

D

N

Q

S

A

R

L

L

M

L

D

A

R

L

A

A

Q

D

P

S

N

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

E

G

E

D

E

E

V

I

A

T

T

D

D

A

V

V

L

M

E

D

G

G

P

P

Q

A

S

S

V

A

V

V

W

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

W

L

L

V

L

active site: R102 (= R105), H129 (= H132), Q132 (= Q135), D225 (= D220), C265 (= C260), R293 (= R288)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (= I49), D82 (≠ G85), E83 (= E86), V91 (= V94), L92 (= L95)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
47% identity, 98% coverage: 4:300/304 of query aligns to 4:305/308 of 7norA

query
sites
7norA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

T

Q

R

A

A

E

V

V

L

L

H

E

R

L

A

A

I

A

E

E

L

L

K

K

R

K

Q

D

L

P

K

V

A

S

G

R

E

R

H

P

H

-

D

-

L

-

L

L

R

Q

G

G

-

P

K

R

T

G

L

V

G

A

M

V

I

I

F

F

E

D

K

K

S

N

S

S

T
|
T

R

R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

Q

A

Q

Q

L

L

G

G

N

H

A

A

L

V

F

V

L

V

S

D

P

S

R

G

D

S

T
|
T

Q

Q

L
|
L

G

G

R

R

G

D

E

E

P

T

I

L

E

Q

D

D

T

T

A

A

R

K

V

V

L

L

S

S

R

R

M

Y

V

V

D

D

C

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

H

Q

E

E

K

R

V

L

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D

L

A

F

M

A

A

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A

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V

P

P

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I

N

N

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A

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L

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D

L

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H
|
H

P

P

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C

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|
Q

L

V

L

L

A

A

D

D

L

L

Q

Q

T

T

F

I

F

A

E

E

Y

R

R

K

G

G

D

A

I

L

R

R

G

G

K

L

R

R

V

L

A

S

W

Y

I

F

G

G

D

D

G

G

-

A

N

N

M

M

C

A

H

H

S

S

Y

L

M

L

Y

L

A

G

H

V

L

T

L

A

D

G

F

I

E

H

L

V

M

T

A

V

A

A

C

A

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P

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G

Y

F

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L

P

P

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S

P

S

S

V

V

L

R

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A

A

A

-

A

-

E

-

R

-

A

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Q

-

D

T

T

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D

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H

S

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V

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T

V

V

T

T

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A

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D

A

A

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A

A

A

G

G

A

A

D

D

L

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

Q

N

E

D

K

G

S

L

A

D

R

R

R

V

Q

K

A

P

F

F

A

R

G

P

F

F

F

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V

L

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N

Q

S

A

R

L

L

M

L

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A

R

L

A

A

Q

D

P

S

N

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

E

G

E

D

E

E

V

I

A

T

T

D

D

A

V

V

L

M

E

D

G

G

P

P

Q

A

S

S

V

A

V

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W

W

D

D

E

E

A

A

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E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

W

L

L

V

L

active site: R102 (= R105), H129 (= H132), Q132 (= Q135), D225 (= D220), C265 (= C260), R293 (= R288)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (= T55), F56 (≠ V59), T77 (= T80), L79 (= L82)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
47% identity, 98% coverage: 4:300/304 of query aligns to 4:305/308 of 7nnyA

query
sites
7nnyA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

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Q

R

A

A

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V

V

L

L

H

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L

A

A

I

A

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E

L

L

K

K

R

K

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D

L

P

K

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A

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G

R

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R

H

P

H

-

D

-

L

-

L

L

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G

G

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P

K

R

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G

L

V

G

A

M

V

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I

F

F

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D

K

K

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N

S

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|
T

R
|
R

T

T

R

R

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x
F

S

S

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F

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E

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L

G

G

M

I

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Q

Q

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L

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A

A

L

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F

V

L

V

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D

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S

R

G

D

S

T

T

Q

Q

L

L

G

G

R

R

G

D

E
|
E

P

T

I

L

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Q

D

D

T

T

A

A

R

K

V
|
V

L

L

S

S

R

R

M
x
Y

V

V

D

D

C

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

H

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K

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L

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L

A

F

M

A

A

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S

H

V

S

A

S

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

L

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E

F

H
|
H

P

P

A

C

Q
|
Q

L

V

L

L

A

A

D

D

L

L

Q

Q

T

T

F

I

F

A

E

E

Y

R

R

K

G

G

D

A

I

L

R

R

G

G

K

L

R

R

V

L

A

S

W

Y

I

F

G

G

D

D

G

G

-

A

N

N

M

M

C

A

H

H

S

S

Y

L

M

L

Y

L

A

G

H

V

L

T

L

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F

I

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H

L

V

M

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A

V

A

A

C

A

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P

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D

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Y

F

E

L

P

P

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D

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P

S

S

V

V

L

R

E

A

A

A

-

A

-

E

-

R

-

A

-

Q

-

D

T

T

R

G

D

A

H

S

V

V

T

T

V

V

T

T

R

A

D

D

A

A

G

H

E

A

A

A

G

G

A

A

D

D

L

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

Q

N

E

D

K

G

S

L

A

D

R

R

R

V

Q

K

A

P

F

F

A

R

G

P

F

F

F

Q

V

L

D

N

Q

S

A

R

L

L

M

L

D

A

R

L

A

A

Q

D

P

S

N

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

E

G

E

D

E

E

V

I

A

T

T

D

D

A

V

V

L

M

E

D

G

G

P

P

Q

A

S

S

V

A

V

V

W

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

L

L

M

L

E

V

F

W

L

L

V

L

active site: R102 (= R105), H129 (= H132), Q132 (= Q135), D225 (= D220), C265 (= C260), R293 (= R288)
binding 1-naphthol: T52 (= T55), R53 (= R56), F56 (≠ V59), E83 (= E86), V91 (= V94), Y95 (≠ M98)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
47% identity, 98% coverage: 4:300/304 of query aligns to 4:305/308 of 7nnwA

query
sites
7nnwA

R

R

H

H

F

F

L

L

S

R

F

D

L

D

D

D

L

L

S

S

A

P

E

A

E

E

T

Q

R

A

A

E

V

V

L

L

H

E

R

L

A

A

I

A

E

E

L

L

K

K

R

K

Q

D

L

P

K

V

A

S

G

R

E

R

H

P

H

-

D

-

L

-

L

L

R

Q

G

G

-

P

K

R

T

G