SitesBLAST

W22 (≠ R18) mutation to A: Decreased heat stability.
E26 (≠ N22) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ A26) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (≠ A30) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (≠ V220) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (= A233) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E269) 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

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
48% identity, 98% coverage: 1:298/304 of query aligns to 9:306/316 of Q81M99

query
sites
Q81M99

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STRT 57:60 (= STRT 53:56) binding carbamoyl phosphate
Q84 (= Q80) binding carbamoyl phosphate
R108 (= R104) binding carbamoyl phosphate
HPCQ 135:138 (= HPCQ 131:134) binding carbamoyl phosphate
N166 (= N162) binding L-ornithine
D230 (= D222) binding L-ornithine
SM 234:235 (= SM 226:227) binding L-ornithine
CL 269:270 (= CL 261:262) binding carbamoyl phosphate
R297 (= R289) binding carbamoyl phosphate

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
48% identity, 98% coverage: 1:298/304 of query aligns to 5:302/307 of 4nf2A

query
sites
4nf2A

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active site: R55 (= R55), T56 (= T56), R83 (= R83), R104 (= R104), H131 (= H131), Q134 (= Q134), D226 (= D222), C265 (= C261), R293 (= R289)
binding phosphoric acid mono(formamide)ester: S53 (= S53), T54 (= T54), R55 (= R55), T56 (= T56), R104 (= R104), H131 (= H131), Q134 (= Q134), C265 (= C261), L266 (= L262), R293 (= R289)
binding norvaline: L126 (= L126), N162 (= N162), D226 (= D222), S230 (= S226), M231 (= M227)

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
44% identity, 98% coverage: 4:302/304 of query aligns to 2:303/304 of 8qeuA

query
sites
8qeuA

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binding L-ornithine: L125 (= L126), N161 (= N162), D222 (= D222), S226 (= S226), M227 (= M227), L263 (= L262)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
44% identity, 98% coverage: 4:302/304 of query aligns to 2:296/297 of 8qevA

query
sites
8qevA

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L

G

G

binding phosphoric acid mono(formamide)ester: S52 (= S53), M53 (≠ T54), R54 (= R55), T55 (= T56), R103 (= R104), C255 (= C261), L256 (= L262), R283 (= R289)

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7nouA

query
sites
7nouA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

P

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L
|
L

G

G

R

R

A
x
D

E
|
E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V
|
V

L

L

S

S

R

R

Y
|
Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (= I48), T52 (= T54), R53 (= R55), R53 (= R55), F56 (≠ V58), F56 (≠ V58), L79 (= L81), D82 (≠ A84), E83 (= E85), V91 (= V93), Y95 (= Y97), L266 (= L262), R293 (= R289)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7nosA

query
sites
7nosA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

P

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L

L

G

G

R

R

A
x
D

E
|
E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V
|
V

L
|
L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (= I48), D82 (≠ A84), E83 (= E85), V91 (= V93), L92 (= L94)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7norA

query
sites
7norA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S

S

T
|
T

R

R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M
x
T

Q

Q

L
|
L

G

G

R

R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L

L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (= T54), F56 (≠ V58), T77 (≠ M79), L79 (= L81)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7nnyA

query
sites
7nnyA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L

L

G

G

R

R

A

D

E
|
E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V
|
V

L

L

S

S

R

R

Y
|
Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding 1-naphthol: T52 (= T54), R53 (= R55), F56 (≠ V58), E83 (= E85), V91 (= V93), Y95 (= Y97)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7nnwA

query
sites
7nnwA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

P

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L
|
L

G

G

R

R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L
|
L

S

S

R

R

Y
|
Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding methyl 3-iodanyl-4-oxidanyl-benzoate: I46 (= I48), T52 (= T54), R53 (= R55), F56 (≠ V58), L79 (= L81), L92 (= L94), Y95 (= Y97)

7nnvA Crystal structure of mycobacterium tuberculosis argf in complex with carbamoyl phosphate.
47% identity, 98% coverage: 4:301/304 of query aligns to 4:305/308 of 7nnvA

query
sites
7nnvA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L

L

G

G

R

R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L

L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R102 (= R104), H129 (= H131), Q132 (= Q134), D225 (= D222), C265 (= C261), R293 (= R289)
binding phosphoric acid mono(formamide)ester: S51 (= S53), T52 (= T54), R53 (= R55), T54 (= T56), R102 (= R104), H129 (= H131), C265 (= C261), L266 (= L262), R293 (= R289)

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: 4:301/304 of query aligns to 3:304/307 of 2i6uA

query
sites
2i6uA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L

L

G

G

R
|
R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L

L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L
|
L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

N
|
N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S
|
S

M
|
M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R52 (= R55), T53 (= T56), R80 (= R83), R101 (= R104), H128 (= H131), Q131 (= Q134), D224 (= D222), C264 (= C261), R292 (= R289)
binding phosphoric acid mono(formamide)ester: S50 (= S53), T51 (= T54), R52 (= R55), T53 (= T56), R101 (= R104), C264 (= C261), L265 (= L262), R292 (= R289)
binding norvaline: L123 (= L126), N160 (= N162), D224 (= D222), S228 (= S226), M229 (= M227)

P9WIT9 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
47% identity, 98% coverage: 4:301/304 of query aligns to 3:304/307 of P9WIT9

query
sites
P9WIT9

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q
|
Q

L

L

G

G

R

R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L

L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P
|
P

C
|
C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

N
|
N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S
|
S

M
|
M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

STRT 50:53 (= STRT 53:56) binding carbamoyl phosphate
Q77 (= Q80) binding carbamoyl phosphate
R101 (= R104) binding carbamoyl phosphate
HPCQ 128:131 (= HPCQ 131:134) binding carbamoyl phosphate
N160 (= N162) binding L-ornithine
D224 (= D222) binding L-ornithine
SM 228:229 (= SM 226:227) binding L-ornithine
CL 264:265 (= CL 261:262) binding carbamoyl phosphate
R292 (= R289) binding carbamoyl phosphate

7np0A Crystal structure of mycobacterium tuberculosis argf in complex with (4-nitrophenyl)boronic acid.
46% identity, 98% coverage: 4:301/304 of query aligns to 4:302/305 of 7np0A

query
sites
7np0A

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

-

G

-

T

-

E

D

M

S

Q

G

L

L

G

G

R

R

A

D

E
|
E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V
|
V

L

L

S

S

R

R

Y
|
Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R99 (= R104), H126 (= H131), Q129 (= Q134), D222 (= D222), C262 (= C261), R290 (= R289)
binding p-nitrophenylboronic acid: E80 (= E85), V88 (= V93), Y92 (= Y97)

7nnzB Crystal structure of mycobacterium tuberculosis argf in complex with 5-methyl-4-phenylthiazol-2-amine.
45% identity, 98% coverage: 4:301/304 of query aligns to 3:294/297 of 7nnzB

query
sites
7nnzB

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

G

E

S

M

T

Q

Q

L

L

G

G

R

R

A

D

E

E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V

V

L

L

S

S

R

R

Y

Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

R

M

V

N

K

Q

P

E

-

H

-

R

-

A

-

R

-

G

-

H

-

N

-

V

-

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R101 (= R104), H128 (= H131), Q131 (= Q134), D224 (= D222), C254 (= C261), R282 (= R289)
binding 5-methyl-4-phenyl-1,3-thiazol-2-amine: T51 (= T54), R52 (= R55), F55 (≠ V58)

7novA Crystal structure of mycobacterium tuberculosis argf in complex with (4-methyl-3-nitrophenyl)boronic acid.
46% identity, 98% coverage: 4:301/304 of query aligns to 4:299/302 of 7novA

query
sites
7novA

K

R

H

H

F

F

L

L

D

R

L

D

S

D

A

D

V

L

T

S

S

P

A

A

D

E

L

Q

R

A

T

E

I

V

M

L

N

E

D

L

A

A

L

A

A

E

R

L

K

K

Q

-

A

-

F

-

K

K

A

D

G

P

Q

V

G

S

D

R

K

R

P

P

L

L

A

Q

G

G

-

P

K

R

M

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

P

N

S

S

T

T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

D

E

V

L

G

G

M

I

R

A

Q

Q

L

L

G

G

E

H

T

A

L

V

F

V

L

V

S

D

G

S

T

-

E

-

M

-

Q

-

L

-

G

-

R

R

A

D

E
|
E

T

T

I

L

G

Q

D

D

T

T

A

A

K

K

V
|
V

L

L

S

S

R

R

Y
|
Y

V

V

D

D

A

A

I

I

M

V

I

W

R
|
R

T

T

T

F

E

G

H

Q

S

E

R

R

L

L

V

D

E

A

L

M

A

A

Q

S

H

V

A

A

T

T

V

V

P

P

V

V

I

I

N

N

A

A

L

L

T

S

D

D

D

E

T

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

I

L

M

Q

T

T

F

I

E

A

E

E

H

R

R

K

G

G

P

A

I

L

K

R

G

G

K

L

T

R

I

L

A

S

W

Y

T

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

H

H

S

S

L

L

V

L

E

L

G

G

A

G

A

V

R

T

F

A

G

G

Y

I

R

H

M

V

N

T

M

V

A

A

V

A

P

P

L

E

G

G

S

F

E

L

P

P

K

D

D

P

H

S

Y

V

L

R

-

A

-

E

N

R

W

R

A

A

R

Q

N

D

E

T

G

G

A

A

E

S

I

V

M

T

L

V

C

T

H

A

D

D

A

A

D

H

R

A

A

A

V

A

A

A

G

G

V

A

D

D

C

V

V

L

V

V

T

T

D
|
D

T

T

W

W

V

T

S

S

M

M

N

G

Q

Q

E

E

H

N

R

D

A

G

R

L

G

D

H

R

-

V

N

K

V

P

F

F

Q

R

P

P

Y

F

Q

Q

V

L

N

N

A

S

A

R

L

L

M

L

A

A

K

L

A

A

G

D

N

S

D

D

A

A

L

I

F

V

M

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

D

D

E

A

V

V

I

M

D

D

G

G

P

P

Q

A

S

S

V

A

V

V

F

W

D

D

E

E

A
|
A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

S

A

I

L

L

L

A

V

W

W

C

L

L

L

active site: R96 (= R104), H123 (= H131), Q126 (= Q134), D219 (= D222), C259 (= C261), R287 (= R289)
binding (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron: R53 (= R55), F56 (≠ V58), E77 (= E85), V85 (= V93), Y89 (= Y97), L260 (= L262), A284 (= A286), R287 (= R289)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
45% identity, 82% coverage: 40:289/304 of query aligns to 77:330/354 of P00481

query
sites
P00481

L

L

A

Q

G

G

K

K

M

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

P

R

S

S

T

T

R
|
R

T

T

R

R

V

L

S

S

F

T

D

E

V

T

G

G

M

F

R

A

Q

L

L

L

G

G

E

H

T

P

L

S

F

F

L

L

S

T

G

T

T

Q

E

D

M

I

Q

H

L

L

G

G

R

V

A

N

E

E

T

S

I

L

G

T

D

D

T

T

A

A

K

R

V

V

L

L

S

S

R

S

Y

M

V

T

D

D

A

A

I

V

M

L

I

A

R

R

T

V

T

Y

E

K

H

Q

S

S

R

D

L

L

V

D

E

I

L

L

A

A

Q

K

H

E

A

A

T

T

V

I

P

P

V

I

I

V

N

N

A

G

L

L

T

S

D

D

D

L

T

Y

H

H

P

P

C

I

Q

Q

I

I

M

L

A

A

D

D

I

Y

M

L

T

T

F

L

E

Q

E

E

H

H

R

Y

G

G

P

S

I

L

K

K

G

G

K

L

T

T

I

L

A

S

W

W

T

I

G

G

D

D

G

G

N

N

V

I

L

L

H

H

S

S

L

I

V

M

E

M

G

S

A

A

R

K

F

F

G

G

Y

M

R

H

M

L

N

Q

M

A

A

A

V

T

P

P

L

K

G

G

S

Y

E

E

P

P

K

D

D

P

H

N

Y

I

L

V

N

K

-

L

-

A

-

E

-

Q

W

Y

A

A

R

K

N

E

E

N

G

G

A

T

E

R

I

L

M

S

L

M

C

T

H

N

D

D

A

P

D

L

R

E

A

A

V

A

A

R

G

G

V

G

D

N

C

V

V

L

V

I

T

T

D

D

T

T

W

W

V

I

S

S

M

M

N

G

Q

Q

E

E

-

D

H

E

R

K

A

K

R

K

G

R

H

L

N

Q

V

A

F

F

Q

Q

P

G

Y

Y

Q

Q

V

V

N

T

A

M

A

K

L

T

M

A

A

K

K

V

A

A

G

A

N

S

D

D

A

W

L

T

F

F

M

L

H

H

C
|
C

L

L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

D

D

E

E

V

V

I

F

D

Y

G

S

P

P

Q

R

S

S

V

L

V

V

F

F

D

P

E

E

A

A

E

E

N

N

R

R

R92 (= R55) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C261) 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)
45% identity, 82% coverage: 40:289/304 of query aligns to 77:330/354 of P00480

query
sites
P00480

L

L

A

Q

G

G

K

K

M

S

L

L

A

G

M

M

I

I

F

F

E

E

K
|
K

P

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

D

E

V

T

G
|
G

M
x
F

R

A

Q

L

L

L

G

G

E

H

T

P

L

C

F

F

L
|
L

S

T

G

T

T

Q

E

D

M

I

Q

H

L

L

G

G

R

V

A

N

E

E

T

S

I

L

G
x
T

D
|
D

T

T

A

A

K
x
R

V

V

L

L

S

S

R

S

Y

M

V

A

D

D

A

A

I

V

M

L

I
x
A

R
|
R

T

V

T

Y

E

K

H

Q

S

S

R

D

L

L

V

D

E

T

L

L

A

A

Q

K

H

E

A

A

T

S

V

I

P

P

V

I

I

I

N

N

A

G

L

L

T

S

D

D

D

L

T

Y

H
|
H

P

P

C

I

Q
|
Q

I
|
I

M

L

A

A

D

D

I
x
Y

M

L

T
|
T

F
x
L

E

Q

E

E

H

H

R
x
Y

G

S

P

S

I

L

K

K

G
|
G

K

L

T

T

I

L

A

S

W

W

T

I

G
|
G

D
|
D

G

G

N

N

V

I

L
|
L

H

H

S

S

L

I

V

M

E

M

G
x
S

A

A

A
|
A

R

K

F

F

G

G

Y
x
M

R
x
H

M

L

N

Q

M

A

A

A

V

T

P
|
P

L

K

G

G

S

Y

E

E

P
|
P

K

D

D

A

H

S

Y

V

L

T

N

K

-

L

-

A

-

E

-

Q

W

Y

A

A

R

K

N

E

E

N

G

G

A

T

E

K

I
x
L

M

L

L

L

C

T

H

N

D

D

A

P

D

L

R

E

A

A

V

A

A

H

G

G

V

G

D

N

C

V

V

L

V

I

T
|
T

D

D

T
|
T

W
|
W

V

I

S

S

M

M

N
x
G

Q
|
Q

E

E

H
x
E

R

E

A

K

R

K

G

K

H
x
R

-

L

N

Q

V

A

F

F

Q

Q

P

G

Y

Y

Q

Q

V

V

N

T

A

M

A

K

L

T

M

A

A

K

K

V

A

A

G

A

N

S

D

D

A

W

L

T

F

F

M

L

H
|
H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E
|
E

E

E

V

V

T

D

D

D

E

E

V

V

I

F

D

Y

G

S

P

P

Q

R

S

S

V

L

V

V

F

F

D

P

E

E

A

A

E

E

N

N

R
|
R

K88 (= K51) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (= STRT 53:56) binding carbamoyl phosphate
G100 (= G63) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M64) to L: in dbSNP:rs1133135
L111 (= L74) to P: in dbSNP:rs1800324
T125 (≠ G88) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D89) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (≠ K92) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (≠ I103) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R104) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H131) binding carbamoyl phosphate
Q171 (= Q134) binding carbamoyl phosphate
I172 (= I135) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ I139) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TF 141:142) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ R146) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G151) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G158) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D159) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (= L164) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ G170) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (= A172) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ Y176) to K: in OTCD; late onset
H214 (≠ R177) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P183) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (= P188) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (≠ I203) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T221) to K: in OTCD; mild; dbSNP:rs67333670
T264 (= T223) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W224) to L: in OTCD; mild; dbSNP:rs72558446
G269 (≠ N228) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (= Q229) to R: in dbSNP:rs1800328
E272 (≠ H231) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (≠ H236) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H260) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C261) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 261:262) binding carbamoyl phosphate
E309 (= E268) natural variant: Missing (in OTCD; late onset)
R330 (= R289) binding carbamoyl phosphate

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
40 R → H: in OTCD; late onset; dbSNP:rs72554308
43 L → F: in dbSNP:rs72554309
46 K → R: in dbSNP:rs1800321
55 Y → D: in OTCD; late onset; dbSNP:rs72554319
63 L → P: in OTCD; late onset; dbSNP:rs72554324
333 natural variant: T -> A
340 S → P: in OTCD; late onset; dbSNP:rs72558489
343 T → K: in OTCD; late onset; dbSNP:rs72558491

1othA Crystal structure of human ornithine transcarbamoylase complexed with n-phosphonacetyl-l-ornithine (see paper)
44% identity, 82% coverage: 40:289/304 of query aligns to 44:297/321 of 1othA

query
sites
1othA

L

L

A

Q

G

G

K

K

M

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

P

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

D

E

V

T

G

G

M

F

R

A

Q

L

L

L

G

G

E

H

T

P

L

C

F

F

L

L

S

T

G

T

T

Q

E

D

M

I

Q

H

L

L

G

G

R
x
V

A

N

E

E

T

S

I

L

G

T

D

D

T

T

A

A

K

R

V

V

L

L

S

S

R

S

Y

M

V

A

D

D

A

A

I

V

M

L

I

A

R
|
R

T

V

T

Y

E

K

H

Q

S

S

R

D

L

L

V

D

E

T

L

L

A

A

Q

K

H

E

A

A

T

S

V

I

P

P

V

I

I

I

N

N

A

G

L
|
L

T

S

D

D

D

L

T

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

M

L

A

A

D

D

I

Y

M

L

T

T

F

L

E

Q

E

E

H

H

R

Y

G

S

P

S

I

L

K

K

G

G

K

L

T

T

I

L

A

S

W

W

T

I

G

G

D

D

G

G

N

N

N
|
N

V

I

L

L

H

H

S

S

L

I

V

M

E

M

G

S

A

A

R

K

F

F

G

G

Y

M

R

H

M

L

N

Q

M

A

A

A

V

T

P

P

L

K

G

G

S

Y

E

E

P

P

K

D

D

A

H

S

Y

V

L

T

N

K

-

L

-

A

-

E

-

Q

W

Y

A

A

R

K

N

E

E

N

G

G

A

T

E

K

I

L

M

L

L

L

C

T

H

N

D

D

A

P

D

L

R

E

A

A

V

A

A

H

G

G

V

G

D

N

C

V

V

L

V

I

T

T

D
|
D

T

T

W

W

V

I

S
|
S

M
|
M

-

G

N

R

Q

E

E

E

H

E

R

K

A

K

R

K

G

R

H

L

N

Q

V

A

F

F

Q

Q

P

G

Y

Y

Q

Q

V

V

N

T

A

M

A

K

L

T

M

A

A

K

K

V

A

A

G

A

N

S

D

D

A

W

L

T

F

F

M

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

D

D

E

E

V

V

I

F

D

Y

G

S

P

P

Q

R

S

S

V

L

V

V

F

F

D

P

E

E

A

A

E

E

N

N

R
|
R

active site: R59 (= R55), T60 (= T56), V87 (≠ R83), R108 (= R104), H135 (= H131), Q138 (= Q134), D230 (= D222), C270 (= C261), R297 (= R289)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S53), T58 (= T54), R59 (= R55), T60 (= T56), R108 (= R104), L130 (= L126), H135 (= H131), N166 (= N162), D230 (= D222), S234 (= S226), M235 (= M227), C270 (= C261), L271 (= L262), R297 (= R289)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
44% identity, 82% coverage: 40:289/304 of query aligns to 44:297/321 of 1c9yA

query
sites
1c9yA

L

L

A

Q

G

G

K

K

M

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

P

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

D

E

V

T

G

G

M

F

R

A

Q

L

L

L

G

G

E

H

T

P

L

C

F

F

L

L

S

T

G

T

T

Q

E

D

M

I

Q

H

L

L

G

G

R
x
V

A

N

E

E

T

S

I

L

G

T

D

D

T

T

A

A

K

R

V

V

L

L

S

S

R

S

Y

M

V

A

D

D

A

A

I

V

M

L

I

A

R
|
R

T

V

T

Y

E

K

H

Q

S

S

R

D

L

L

V

D

E

T

L

L

A

A

Q

K

H

E

A

A

T

S

V

I

P

P

V

I

I

I

N

N

A

G

L
|
L

T

S

D

D

D

L

T

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

M

L

A

A

D

D

I

Y

M

L

T

T

F

L

E

Q

E

E

H

H

R

Y

G

S

P

S

I

L

K

K

G

G

K

L

T

T

I

L

A

S

W

W

T

I

G

G

D

D

G

G

N

N

N
|
N

V

I

L

L

H

H

S

S

L

I

V

M

E

M

G

S

A

A

R

K

F

F

G

G

Y

M

R

H

M

L

N

Q

M

A

A

A

V

T

P

P

L

K

G

G

S

Y

E

E

P

P

K

D

D

A

H

S

Y

V

L

T

N

K

-

L

-

A

-

E

-

Q

W

Y

A

A

R

K

N

E

E

N

G

G

A

T

E

K

I

L

M

L

L

L

C

T

H

N

D

D

A

P

D

L

R

E

A

A

V

A

A

H

G

G

V

G

D

N

C

V

V

L

V

I

T

T

D
|
D

T

T

W

W

V

I

S
|
S

M
|
M

-

G

N

R

Q

E

E

E

H

E

R

K

A

K

R

K

G

R

H

L

N

Q

V

A

F

F

Q

Q

P

G

Y

Y

Q

Q

V

V

N

T

A

M

A

K

L

T

M

A

A

K

K

V

A

A

G

A

N

S

D

D

A

W

L

T

F

F

M

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

D

D

E

E

V

V

I

F

D

Y

G

S

P

P

Q

R

S

S

V

L

V

V

F

F

D

P

E

E

A

A

E

E

N

N

R
|
R

active site: R59 (= R55), T60 (= T56), V87 (≠ R83), R108 (= R104), H135 (= H131), Q138 (= Q134), D230 (= D222), C270 (= C261), R297 (= R289)
binding phosphoric acid mono(formamide)ester: S57 (= S53), T58 (= T54), R59 (= R55), T60 (= T56), R108 (= R104), C270 (= C261), L271 (= L262), R297 (= R289)
binding norvaline: L130 (= L126), N166 (= N162), D230 (= D222), S234 (= S226), M235 (= M227)

Query Sequence

>WP_012755913.1 NCBI__GCF_000023185.1:WP_012755913.1
MSPKHFLDLSAVTSADLRTIMNDALARKQAFKAGQGDKPLAGKMLAMIFEKPSTRTRVSF
DVGMRQLGGETLFLSGTEMQLGRAETIGDTAKVLSRYVDAIMIRTTEHSRLVELAQHATV
PVINALTDDTHPCQIMADIMTFEEHRGPIKGKTIAWTGDGNNVLHSLVEGAARFGYRMNM
AVPLGSEPKDHYLNWARNEGAEIMLCHDADRAVAGVDCVVTDTWVSMNQEHRARGHNVFQ
PYQVNAALMAKAGNDALFMHCLPAHRGEEVTDEVIDGPQSVVFDEAENRLHAQKSILAWC
LGAI

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