SitesBLAST

W22 (≠ A28) mutation to A: Decreased heat stability.
E26 (= E32) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ L36) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (≠ K40) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (≠ T241) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (≠ N254) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E291) 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)
42% identity, 95% coverage: 13:323/328 of query aligns to 1:302/304 of 8qeuA

query
sites
8qeuA

L

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binding L-ornithine: L125 (= L136), N161 (= N182), D222 (= D243), S226 (= S247), M227 (= M248), L263 (= L284)

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
42% identity, 93% coverage: 14:319/328 of query aligns to 12:305/316 of Q81M99

query
sites
Q81M99

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STRT 57:60 (= STRT 63:66) binding
Q84 (= Q90) binding
R108 (= R114) binding
HPCQ 135:138 (= HPCQ 141:144) binding
N166 (= N182) binding
D230 (= D243) binding
SM 234:235 (= SM 247:248) binding
CL 269:270 (= CL 283:284) binding
R297 (= R311) binding

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
42% identity, 93% coverage: 14:319/328 of query aligns to 8:301/307 of 4nf2A

query
sites
4nf2A

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L

active site: R55 (= R65), T56 (= T66), R83 (= R93), R104 (= R114), H131 (= H141), Q134 (= Q144), D226 (= D243), C265 (= C283), R293 (= R311)
binding phosphoric acid mono(formamide)ester: S53 (= S63), T54 (= T64), R55 (= R65), T56 (= T66), R104 (= R114), H131 (= H141), Q134 (= Q144), C265 (= C283), L266 (= L284), R293 (= R311)
binding norvaline: L126 (= L136), N162 (= N182), D226 (= D243), S230 (= S247), M231 (= M248)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
40% identity, 95% coverage: 13:323/328 of query aligns to 1:295/297 of 8qevA

query
sites
8qevA

L

L

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E

V

V

E

T

A

N

D

G

V

V

I

V

D

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

M

M

H

H

V

A

Q

Q

K

N

A

A

L

I

M

M

E

L

Y

H

L

L

binding phosphoric acid mono(formamide)ester: S52 (= S63), M53 (≠ T64), R54 (= R65), T55 (= T66), R103 (= R114), C255 (= C283), L256 (= L284), R283 (= R311)

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7nouA

query
sites
7nouA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

A

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L
|
L

G

G

R

R

A
x
D

E
|
E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V
|
V

I

L

S

S

R

R

M
x
Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (= I58), T52 (= T64), R53 (= R65), R53 (= R65), F56 (≠ V68), F56 (≠ V68), L79 (= L91), D82 (≠ A94), E83 (= E95), V91 (= V103), Y95 (≠ M107), L266 (= L284), R293 (= R311)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7nosA

query
sites
7nosA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

A

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L

L

G

G

R

R

A
x
D

E
|
E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V
|
V

I
x
L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (= I58), D82 (≠ A94), E83 (= E95), V91 (= V103), L92 (≠ I104)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7norA

query
sites
7norA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S

S

T
|
T

R

R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S
x
T

Q

Q

L
|
L

G

G

R

R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I

L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (= T64), F56 (≠ V68), T77 (≠ S89), L79 (= L91)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7nnyA

query
sites
7nnyA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L

L

G

G

R

R

A

D

E
|
E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V
|
V

I

L

S

S

R

R

M
x
Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding 1-naphthol: T52 (= T64), R53 (= R65), F56 (≠ V68), E83 (= E95), V91 (= V103), Y95 (≠ M107)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7nnwA

query
sites
7nnwA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I
|
I

F

F

E

D

K

K

A

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L
|
L

G

G

R

R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I
x
L

S

S

R

R

M
x
Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding methyl 3-iodanyl-4-oxidanyl-benzoate: I46 (= I58), T52 (= T64), R53 (= R65), F56 (≠ V68), L79 (= L91), L92 (≠ I104), Y95 (≠ M107)

7nnvA Crystal structure of mycobacterium tuberculosis argf in complex with carbamoyl phosphate.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:305/308 of 7nnvA

query
sites
7nnvA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L

L

G

G

R

R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I

L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R102 (= R114), H129 (= H141), Q132 (= Q144), D225 (= D243), C265 (= C283), R293 (= R311)
binding phosphoric acid mono(formamide)ester: S51 (= S63), T52 (= T64), R53 (= R65), T54 (= T66), R102 (= R114), H129 (= H141), C265 (= C283), L266 (= L284), R293 (= R311)

2i6uA Crystal structure of ornithine carbamoyltransferase complexed with carbamoyl phosphate and l-norvaline from mycobacterium tuberculosis (rv1656) at 2.2 a (see paper)
42% identity, 95% coverage: 13:323/328 of query aligns to 2:304/307 of 2i6uA

query
sites
2i6uA

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L

L

G

G

R
|
R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I

L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L
|
L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

N
|
N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S
|
S

M
|
M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R52 (= R65), T53 (= T66), R80 (= R93), R101 (= R114), H128 (= H141), Q131 (= Q144), D224 (= D243), C264 (= C283), R292 (= R311)
binding phosphoric acid mono(formamide)ester: S50 (= S63), T51 (= T64), R52 (= R65), T53 (= T66), R101 (= R114), C264 (= C283), L265 (= L284), R292 (= R311)
binding norvaline: L123 (= L136), N160 (= N182), D224 (= D243), S228 (= S247), M229 (= M248)

P9WIT9 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
42% identity, 95% coverage: 13:323/328 of query aligns to 2:304/307 of P9WIT9

query
sites
P9WIT9

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q
|
Q

L

L

G

G

R

R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I

L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P
|
P

C
|
C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

N
|
N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S
|
S

M
|
M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

STRT 50:53 (= STRT 63:66) binding
Q77 (= Q90) binding
R101 (= R114) binding
HPCQ 128:131 (= HPCQ 141:144) binding
N160 (= N182) binding
D224 (= D243) binding
SM 228:229 (= SM 247:248) binding
CL 264:265 (= CL 283:284) binding
R292 (= R311) binding

7np0A Crystal structure of mycobacterium tuberculosis argf in complex with (4-nitrophenyl)boronic acid.
42% identity, 95% coverage: 11:323/328 of query aligns to 1:302/305 of 7np0A

query
sites
7np0A

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

-

V

-

H

H

L

A

T

V

G

V

D

D

S

S

Q

G

L

L

G

G

R

R

A

D

E
|
E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V
|
V

I

L

S

S

R

R

M
x
Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R99 (= R114), H126 (= H141), Q129 (= Q144), D222 (= D243), C262 (= C283), R290 (= R311)
binding p-nitrophenylboronic acid: E80 (= E95), V88 (= V103), Y92 (≠ M107)

7nnzB Crystal structure of mycobacterium tuberculosis argf in complex with 5-methyl-4-phenylthiazol-2-amine.
41% identity, 95% coverage: 13:323/328 of query aligns to 2:294/297 of 7nnzB

query
sites
7nnzB

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

H

V

A

V

V

H

V

L

V

T

D

T

S

G

G

D

S

S

T

Q

Q

L

L

G

G

R

R

A

D

E

E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V

V

I

L

S

S

R

R

M

Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

-

M

-

G

-

Y

-

E

-

A

-

E

-

N

-

E

-

A

-

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R101 (= R114), H128 (= H141), Q131 (= Q144), D224 (= D243), C254 (= C283), R282 (= R311)
binding 5-methyl-4-phenyl-1,3-thiazol-2-amine: T51 (= T64), R52 (= R65), F55 (≠ V68)

7novA Crystal structure of mycobacterium tuberculosis argf in complex with (4-methyl-3-nitrophenyl)boronic acid.
41% identity, 95% coverage: 11:323/328 of query aligns to 1:299/302 of 7novA

query
sites
7novA

T

S

T

V

L

I

K

R

H

H

Y

F

L

L

Q

R

F

D

T

D

D

D

L

L

N

S

A

P

D

A

E

E

Y

Q

A

A

Y

E

L

V

F

L

E

E

R

L

A

A

L

E

I

L

K

K

K

D

F

P

K

V

A

S

Y

-

D

-

K

-

H

R

P

P

L

L

V

Q

-

G

D

P

R

R

T

G

L

V

A

A

M

V

I

I

F

F

E

D

K

K

A

N

S

S

T

T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

A

L

G

G

M

I

Y

A

Q

Q

L

L

G

G

S

-

V

-

H

H

L

A

T

V

G

V

D

D

S

S

Q

-

L

-

G

-

R

R

A

D

E
|
E

P

T

I

L

E

Q

D

D

S

T

A

A

K

K

V
|
V

I

L

S

S

R

R

M
x
Y

T

V

D

D

L

A

V

I

M

V

I

W

R
|
R

T

T

Y

F

E

G

Q

Q

A

E

K

R

I

L

E

D

R

A

F

M

A

A

A

S

N

V

S

A

R

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

N

D

E

E

Y

F

H
|
H

P

P

C

C

Q
|
Q

I

V

L

L

A

A

D

D

I

L

F

Q

T

T

F

I

I

A

E

E

H

R

R

K

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

A

L

L

K

R

G

G

K

L

T

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

M

M

A

A

N

H

T

S

W

L

V

L

Q

L

A

G

S

V

L

T

L

A

G

G

F

I

K

H

V

V

H

T

V

V

S

A

T

A

P

P

R

E

G

G

Y

F

E

L

I

P

D

D

E

P

K

S

L

V

A

R

A

A

G

A

A

A

H

E

G

R

I

R

S

A

A

Q

D

D

-

T

-

G

-

A

S

S

Y

V

Q

T

F

V

F

T

S

A

N

D

P

A

M

H

E

A

A

A

C

A

R

A

G

G

A

A

D

D

L

V

V

L

T

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Y

Q

E

E

A

N

E

D

N

G

E

L

A

D

R

R

K

V

K

K

A

P

F

F

A

R

D

P

W

F

C

Q

V

L

D

N

T

S

E

R

M

L

A

A

A

L

A

A

Q

D

P

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

E

T

A

D

D

A

V

V

I

M

D

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

M

L

H

H

V

A

Q

Q

K

K

A

A

L

L

M

L

E

V

Y

W

L

L

active site: R96 (= R114), H123 (= H141), Q126 (= Q144), D219 (= D243), C259 (= C283), R287 (= R311)
binding (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron: R53 (= R65), F56 (≠ V68), E77 (= E95), V85 (= V103), Y89 (≠ M107), L260 (= L284), A284 (= A308), R287 (= R311)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
39% identity, 94% coverage: 17:323/328 of query aligns to 43:342/354 of P00481

query
sites
P00481

L

L

Q

T

F

L

T

K

D

N

L

F

N

T

A

G

D

E

E

E

Y

I

A

Q

Y

Y

L

M

F

L

E

W

R

L

A

S

A

A

L

D

I

L

K

K

K

F

K

R

F

I

K

K

A

Q

Y

K

D

G

K

E

H

Y

H

L

P

P

L

L

V

L

D

Q

-

G

R

K

T

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

A

R

S

S

T

T

R
|
R

T

T

R

R

V

L

S

S

F

T

E

E

A

T

G

G

M

F

Y

A

Q

L

L

L

G

G

S

H

V

P

V

S

H

F

L

L

T

T

G

Q

D

D

S

I

Q

H

L

L

G

G

R

V

A

N

E

E

P

S

I

L

E

T

D

D

S

T

A

A

K

R

V

V

I

L

S

S

R

S

M

M

T

T

D

D

L

A

V

V

M

L

I

A

R

R

T

V

Y

Y

E

K

Q

Q

A

S

K

D

I

L

E

D

R

I

F

L

A

A

A

K

N

E

S

A

R

T

V

I

P

P

V

I

I

V

N

N

G

G

L

L

T

S

N

D

E

L

Y

Y

H

H

P

P

C

I

Q

Q

I

I

L

L

A

A

D

D

I

Y

F

L

T

T

F

L

I

Q

E

E

H

H

R

Y

G

G

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

S

L

L

K

K

G

G

K

L

T

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

M

I

A

L

N

H

T

S

W

I

V

M

Q

M

A

S

A

A

S

A

L

K

L

F

G

G

F

M

K

H

V

L

H

Q

V

A

S

A

T

T

P

P

R

K

G

G

Y

Y

E

E

I

P

D

D

E

P

K

N

L

I

A

V

A

K

G

L

A

A

H

E

G

Q

I

Y

S

A

A

K

D

E

S

N

Y

G

Q

T

F

R

F

L

S

S

-

M

-

T

-

N

N

D

P

P

M

L

E

E

A

A

C

A

R

R

G

G

A

G

D

N

L

V

V

L

T

I

T

T

D

D

V

T

W

W

T

I

S

S

M

M

G

G

Y

Q

E

E

A

D

E

E

N

K

E

K

A

K

R

R

K

L

K

Q

A

A

F

F

A

Q

D

G

W

Y

C

Q

V

V

D

T

T

M

E

K

M

T

M

A

A

K

A

V

A

A

Q

A

P

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

E

D

A

D

D

E

V

V

I

F

D

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

M

K

H

W

V

T

Q

I

K

M

A

A

L

V

M

M

E

V

Y

S

L

L

R92 (= R65) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C283) 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)
38% identity, 94% coverage: 17:323/328 of query aligns to 43:342/354 of P00480

query
sites
P00480

L
|
L

Q

T

F

L

T
x
K

D

N

L

F

N

T

A

G

D

E

E

E

Y

I

A

K

Y
|
Y

L

M

F

L

E

W

R

L

A

S

A

A

L

D

I
x
L

K

K

K

F

K

R

F

I

K

K

A

Q

Y

K

D

G

K

E

H

Y

H

L

P

P

L

L

V

L

D

Q

-

G

R

K

T

S

L

L

A

G

M

M

I

I

F

F

E

E

K
|
K

A

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

A

T

G
|
G

M
x
F

Y

A

Q

L

L

L

G

G

S

H

V

P

V

C

H

F

L
|
L

T

T

G

Q

D

D

S

I

Q

H

L

L

G

G

R

V

A

N

E

E

P

S

I

L

E
x
T

D
|
D

S

T

A

A

K
x
R

V

V

I

L

S

S

R

S

M

M

T

A

D

D

L

A

V

V

M

L

I
x
A

R
|
R

T

V

Y

Y

E

K

Q

Q

A

S

K

D

I

L

E

D

R

T

F

L

A

A

A

K

N

E

S

A

R

S

V

I

P

P

V

I

I

I

N

N

G

G

L

L

T

S

N

D

E

L

Y

Y

H
|
H

P

P

C

I

Q
|
Q

I
|
I

L

L

A

A

D

D

I
x
Y

F

L

T
|
T

F
x
L

I

Q

E

E

H

H

R
x
Y

G

-

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

S

C

S

L

L

K

K

G
|
G

K

L

T

T

V

L

A

S

W

W

V

I

G
|
G

D
|
D

G

G

N

N

M

I

A
x
L

N

H

T

S

W

I

V

M

Q

M

A
x
S

A

A

S
x
A

L

K

L

F

G

G

F
x
M

K
x
H

V

L

H

Q

V

A

S

A

T

T

P
|
P

R

K

G

G

Y

Y

E

E

I
x
P

D

D

-

A

-

S

-

V

E

T

K

K

L

L

A

A

A

E

G

Q

A

Y

H

A

G

K

I

E

S

N

A

G

D

T

S

K

Y
x
L

Q

L

F

L

F

T

S

N

N

D

P

P

M

L

E

E

A

A

C

A

R

H

G

G

A

G

D

N

L

V

V

L

T

I

T
|
T

D

D

V
x
T

W
|
W

T

I

S

S

M

M

G
|
G

Y
x
Q

E

E

A
x
E

E

E

N

K

E

K

A

K

R
|
R

K

L

K

Q

A

A

F

F

A

Q

D

G

W

Y

C

Q

V

V

D

T

T

M

E

K

M

T

M

A

A

K

A

V

A

A

Q

A

P

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

E

D

A

D

D

E

V

V

I

F

D

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

M

K

H

W

V
x
T

Q

I

K

M

A

A

L

V

M

M

E

V

Y
x
S

L

L

L43 (= L17) to F: in dbSNP:rs72554309
K46 (≠ T20) to R: in dbSNP:rs1800321
Y55 (= Y29) to D: in OTCD; late onset; dbSNP:rs72554319
L63 (≠ I37) to P: in OTCD; late onset; dbSNP:rs72554324
K88 (= K61) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (= STRT 63:66) binding
G100 (= G73) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M74) to L: in dbSNP:rs1133135
L111 (= L84) to P: in dbSNP:rs1800324
T125 (≠ E98) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D99) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (≠ K102) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (≠ I113) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R114) binding ; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H141) binding
Q171 (= Q144) binding
I172 (= I145) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ I149) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TF 151:152) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ R156) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G171) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G178) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D179) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (≠ A184) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ A190) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (≠ S192) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ F196) to K: in OTCD; late onset
H214 (≠ K197) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P203) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (≠ I208) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (≠ Y224) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T242) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V244) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W245) to L: in OTCD; mild; dbSNP:rs72558446
G269 (= G249) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (≠ Y250) to R: in dbSNP:rs1800328
E272 (≠ A252) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (= R257) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H282) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C283) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 283:284) binding
E309 (= E290) natural variant: Missing (in OTCD; late onset)
R330 (= R311) binding
T333 (≠ V314) natural variant: T -> A
S340 (≠ Y321) 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
40 R → H: in OTCD; late onset; dbSNP:rs72554308
343 T → K: in OTCD; late onset; dbSNP:rs72558491

1othA Crystal structure of human ornithine transcarbamoylase complexed with n-phosphonacetyl-l-ornithine (see paper)
38% identity, 94% coverage: 17:323/328 of query aligns to 10:309/321 of 1othA

query
sites
1othA

L

L

Q

T

F

L

T

K

D

N

L

F

N

T

A

G

D

E

E

E

Y

I

A

K

Y

Y

L

M

F

L

E

W

R

L

A

S

A

A

L

D

I

L

K

K

K

F

K

R

F

I

K

K

A

Q

Y

K

D

G

K

E

H

Y

H

L

P

P

L

L

V

L

D

Q

-

G

R

K

T

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

A

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

A

T

G

G

M

F

Y

A

Q

L

L

L

G

G

S

H

V

P

V

C

H

F

L

L

T

T

G

Q

D

D

S

I

Q

H

L

L

G

G

R
x
V

A

N

E

E

P

S

I

L

E

T

D

D

S

T

A

A

K

R

V

V

I

L

S

S

R

S

M

M

T

A

D

D

L

A

V

V

M

L

I

A

R
|
R

T

V

Y

Y

E

K

Q

Q

A

S

K

D

I

L

E

D

R

T

F

L

A

A

A

K

N

E

S

A

R

S

V

I

P

P

V

I

I

I

N

N

G

G

L
|
L

T

S

N

D

E

L

Y

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

L

L

A

A

D

D

I

Y

F

L

T

T

F

L

I

Q

E

E

H

H

R

Y

G

S

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

S

L

L

K

K

G

G

K

L

T

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

N
|
N

M

I

A

L

N

H

T

S

W

I

V

M

Q

M

A

S

A

A

S

A

L

K

L

F

G

G

F

M

K

H

V

L

H

Q

V

A

S

A

T

T

P

P

R

K

G

G

Y

Y

E

E

I

P

D

D

-

A

-

S

-

V

E

T

K

K

L

L

A

A

A

E

G

Q

A

Y

H

A

G

K

I

E

S

N

A

G

D

T

S

K

Y

L

Q

L

F

L

F

T

S

N

N

D

P

P

M

L

E

E

A

A

C

A

R

H

G

G

A

G

D

N

L

V

V

L

T

I

T

T

D
|
D

V

T

W

W

T

I

S
|
S

M
|
M

G

G

Y

R

E

E

A

E

E

E

N

K

E

K

A

K

R

R

K

L

K

Q

A

A

F

F

A

Q

D

G

W

Y

C

Q

V

V

D

T

T

M

E

K

M

T

M

A

A

K

A

V

A

A

Q

A

P

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

E

D

A

D

D

E

V

V

I

F

D

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

M

K

H

W

V

T

Q

I

K

M

A

A

L

V

M

M

E

V

Y

S

L

L

active site: R59 (= R65), T60 (= T66), V87 (≠ R93), R108 (= R114), H135 (= H141), Q138 (= Q144), D230 (= D243), C270 (= C283), R297 (= R311)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S63), T58 (= T64), R59 (= R65), T60 (= T66), R108 (= R114), L130 (= L136), H135 (= H141), N166 (= N182), D230 (= D243), S234 (= S247), M235 (= M248), C270 (= C283), L271 (= L284), R297 (= R311)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
38% identity, 94% coverage: 17:323/328 of query aligns to 10:309/321 of 1c9yA

query
sites
1c9yA

L

L

Q

T

F

L

T

K

D

N

L

F

N

T

A

G

D

E

E

E

Y

I

A

K

Y

Y

L

M

F

L

E

W

R

L

A

S

A

A

L

D

I

L

K

K

K

F

K

R

F

I

K

K

A

Q

Y

K

D

G

K

E

H

Y

H

L

P

P

L

L

V

L

D

Q

-

G

R

K

T

S

L

L

A

G

M

M

I

I

F

F

E

E

K

K

A

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

A

T

G

G

M

F

Y

A

Q

L

L

L

G

G

S

H

V

P

V

C

H

F

L

L

T

T

G

Q

D

D

S

I

Q

H

L

L

G

G

R
x
V

A

N

E

E

P

S

I

L

E

T

D

D

S

T

A

A

K

R

V

V

I

L

S

S

R

S

M

M

T

A

D

D

L

A

V

V

M

L

I

A

R
|
R

T

V

Y

Y

E

K

Q

Q

A

S

K

D

I

L

E

D

R

T

F

L

A

A

A

K

N

E

S

A

R

S

V

I

P

P

V

I

I

I

N

N

G

G

L
|
L

T

S

N

D

E

L

Y

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

L

L

A

A

D

D

I

Y

F

L

T

T

F

L

I

Q

E

E

H

H

R

Y

G

S

P

-

K

-

D

-

G

-

T

-

G

-

N

-

L

-

T

-

D

-

C

S

L

L

K

K

G

G

K

L

T

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

N
|
N

M

I

A

L

N

H

T

S

W

I

V

M

Q

M

A

S

A

A

S

A

L

K

L

F

G

G

F

M

K

H

V

L

H

Q

V

A

S

A

T

T

P

P

R

K

G

G

Y

Y

E

E

I

P

D

D

-

A

-

S

-

V

E

T

K

K

L

L

A

A

A

E

G

Q

A

Y

H

A

G

K

I

E

S

N

A

G

D

T

S

K

Y

L

Q

L

F

L

F

T

S

N

N

D

P

P

M

L

E

E

A

A

C

A

R

H

G

G

A

G

D

N

L

V

V

L

T

I

T

T

D
|
D

V

T

W

W

T

I

S
|
S

M
|
M

G

G

Y

R

E

E

A

E

E

E

N

K

E

K

A

K

R

R

K

L

K

Q

A

A

F

F

A

Q

D

G

W

Y

C

Q

V

V

D

T

T

M

E

K

M

T

M

A

A

K

A

V

A

A

Q

A

P

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

E

D

A

D

D

E

V

V

I

F

D

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

M

K

H

W

V

T

Q

I

K

M

A

A

L

V

M

M

E

V

Y

S

L

L

active site: R59 (= R65), T60 (= T66), V87 (≠ R93), R108 (= R114), H135 (= H141), Q138 (= Q144), D230 (= D243), C270 (= C283), R297 (= R311)
binding phosphoric acid mono(formamide)ester: S57 (= S63), T58 (= T64), R59 (= R65), T60 (= T66), R108 (= R114), C270 (= C283), L271 (= L284), R297 (= R311)
binding norvaline: L130 (= L136), N166 (= N182), D230 (= D243), S234 (= S247), M235 (= M248)

Query Sequence

>Ac3H11_1333 Ornithine carbamoyltransferase (EC 2.1.3.3)
MKLKQSKIVMTTLKHYLQFTDLNADEYAYLFERAALIKKKFKAYDKHHPLVDRTLAMIFE
KASTRTRVSFEAGMYQLGGSVVHLTTGDSQLGRAEPIEDSAKVISRMTDLVMIRTYEQAK
IERFAANSRVPVINGLTNEYHPCQILADIFTFIEHRGPKDGTGNLTDCLKGKTVAWVGDG
NNMANTWVQAASLLGFKVHVSTPRGYEIDEKLAAGAHGISADSYQFFSNPMEACRGADLV
TTDVWTSMGYEAENEARKKAFADWCVDTEMMAAAQPDALFMHCLPAHRGEEVEADVIDGP
QSVVWDEAENRMHVQKALMEYLLLGRVA

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