SitesBLAST

W22 (≠ G18) mutation to A: Decreased heat stability.
E26 (≠ S22) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ E26) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (= W32) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (= Y220) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (≠ T233) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E270) 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: 1:306/311 of query aligns to 9:313/316 of Q81M99

query
sites
Q81M99

M

L

N

N

T

T

K

K

D

D

L

L

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T

I

L

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E

D

E

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A

A

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Y

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C

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G

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x
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E

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A

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A

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x
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E

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A

A

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Y

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I

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Y

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G

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I

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A

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Y

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G

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D

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G

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N

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C

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-

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K

A

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E

STRT 57:60 (≠ SLRT 49:52) binding carbamoyl phosphate
Q84 (≠ G76) binding carbamoyl phosphate
R108 (= R100) binding carbamoyl phosphate
HPCQ 135:138 (= HPCQ 127:130) binding carbamoyl phosphate
N166 (= N158) binding L-ornithine
D230 (= D222) binding L-ornithine
SM 234:235 (= SM 226:227) binding L-ornithine
CL 269:270 (≠ PL 262:263) binding carbamoyl phosphate
R297 (= R290) binding carbamoyl phosphate

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
48% identity, 97% coverage: 1:302/311 of query aligns to 5:305/307 of 4nf2A

query
sites
4nf2A

M

L

N

N

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T

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x
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-

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N

A

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K

E

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C

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G

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D

E

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Q

A

A

E

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N

N

R
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L

L

H

H

A

A

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K

A

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L

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L

F

active site: R55 (= R51), T56 (= T52), R83 (≠ K79), R104 (= R100), H131 (= H127), Q134 (= Q130), D226 (= D222), C265 (≠ P262), R293 (= R290)
binding phosphoric acid mono(formamide)ester: S53 (= S49), T54 (≠ L50), R55 (= R51), T56 (= T52), R104 (= R100), H131 (= H127), Q134 (= Q130), C265 (≠ P262), L266 (= L263), R293 (= R290)
binding norvaline: L126 (= L122), N162 (= N158), D226 (= D222), S230 (= S226), M231 (= M227)

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
45% identity, 96% coverage: 4:303/311 of query aligns to 2:303/304 of 8qeuA

query
sites
8qeuA

K

K

D

D

L

F

L

L

S

A

I

I

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D

D

D

L

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A

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A

A

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E

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K

K

A

A

-

L

-

K

R

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G

G

W

E

N

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C

Y

L

L

-

P

-

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L

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A

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G

G

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K

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A

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Y

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G

G

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G

G

N

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N

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A

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W

L

L

L

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A

L

C

A

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C

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D

K

K

A

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K

A

A

K

K

A

-

Y

-

A

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Q

D

A

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G

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A

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K

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E

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I

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N

D

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K

A

E

A

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G

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D

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W

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S

M
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M

G

G

Q

Q

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K

A

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E

E

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A

E

E

K

A

R

R

L

R

K

K

D

A

F

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A

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G

F

F

Q

Q

V

V

N

D

A

E

K

A

L

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M

L

A

A

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G

K

Q

D

K

A

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I

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L

P

P

A

A

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G

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E

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A

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Y

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F

D

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Q

A

A

E

E

N

N

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R

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M

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H

A

A

Q

Q

K

N

A

A

V

I

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M

R

L

D

H

M

L

L

L

G

G

binding L-ornithine: L125 (= L122), N161 (= N158), D222 (= D222), S226 (= S226), M227 (= M227), L263 (= L263)

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7nouA

query
sites
7nouA

K

R

D

H

L

F

L

L

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I

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S

D

D

D

L

L

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P

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A

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A

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A

A

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A

E

E

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A

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N

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-

R

C

P

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Q

G

G

-

P

K

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G

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A

A

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x
I

F

F

E

D

K

K

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x
T

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R

T

T

R

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x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

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Q

L

L

G

G

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H

A

A

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Y

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S

A

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L

G

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x
D

E
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E

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D

D

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A

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V

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A

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R

F
x
Y

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D

D

V

A

I

I

A

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R
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R

T

T

F

F

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G

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L

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A

L

M

A

A

K

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Y

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A

A

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P

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V

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I

N

N

A

A

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D

L

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H
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H

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Q

A

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L

L

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I

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T

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Y

A

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E

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K

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G

E

A

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K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

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M

T

T

A

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G

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P

A

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A

A

K

A

A

A

K

E

A

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Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

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Y

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G

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T

A

D

D

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A

K

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A

A

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A

G

G

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A

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D

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D

V

T

W

W

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T

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S

M

M

G

G

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Q

E

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A

N

E

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E

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R

L

V

K

K

D

P

F

F

A

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F

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Q

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N

N

A

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M

L

A

A

D

D

K

S

D

D

A

A

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M

L

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x
C

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L

P

P

A

A

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H

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R

G

G

E

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E

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I

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E

A

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M

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C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
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R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (≠ V44), T52 (≠ L50), R53 (= R51), R53 (= R51), F56 (≠ V54), F56 (≠ V54), L79 (= L77), D82 (≠ R80), E83 (= E81), V91 (= V89), Y95 (≠ F93), L266 (= L263), R293 (= R290)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7nosA

query
sites
7nosA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V
x
I

F

F

E

D

K

K

P

N

S

S

L

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

S

A

G

E

S

V

T

G

Q

L

L

G

G

K

R

R
x
D

E
|
E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V
|
V

L
|
L

A

S

R

R

F

Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (≠ V44), D82 (≠ R80), E83 (= E81), V91 (= V89), L92 (= L90)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7norA

query
sites
7norA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S

S

L
x
T

R

R

T

T

R

R

V
x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

S

A

G

E

S

V
x
T

G

Q

L
|
L

G

G

K

R

R

D

E

E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V

V

L

L

A

S

R

R

F

Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (≠ L50), F56 (≠ V54), T77 (≠ V75), L79 (= L77)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7nnyA

query
sites
7nnyA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

S

A

G

E

S

V

T

G

Q

L

L

G

G

K

R

R

D

E
|
E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V
|
V

L

L

A

S

R

R

F
x
Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding 1-naphthol: T52 (≠ L50), R53 (= R51), F56 (≠ V54), E83 (= E81), V91 (= V89), Y95 (≠ F93)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7nnwA

query
sites
7nnwA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V
x
I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

S

A

G

E

S

V

T

G

Q

L
|
L

G

G

K

R

R

D

E

E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V

V

L
|
L

A

S

R

R

F
x
Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding methyl 3-iodanyl-4-oxidanyl-benzoate: I46 (≠ V44), T52 (≠ L50), R53 (= R51), F56 (≠ V54), L79 (= L77), L92 (= L90), Y95 (≠ F93)

7nnvA Crystal structure of mycobacterium tuberculosis argf in complex with carbamoyl phosphate.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:301/308 of 7nnvA

query
sites
7nnvA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S
|
S

L
x
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

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D

P

S

A

G

E

S

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T

G

Q

L

L

G

G

K

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R

D

E

E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V

V

L

L

A

S

R

R

F

Y

V

V

D

D

V

A

I

I

A

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C

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R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

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L

S

S

D

D

L

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H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

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R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

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Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

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D

V

V

I

L

Y

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T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R102 (= R100), H129 (= H127), Q132 (= Q130), D225 (= D222), C265 (≠ P262), R293 (= R290)
binding phosphoric acid mono(formamide)ester: S51 (= S49), T52 (≠ L50), R53 (= R51), T54 (= T52), R102 (= R100), H129 (= H127), C265 (≠ P262), L266 (= L263), R293 (= R290)

P9WIT9 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
48% identity, 95% coverage: 4:298/311 of query aligns to 3:300/307 of P9WIT9

query
sites
P9WIT9

K

R

D

H

L

F

L

L

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I

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S

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D

D

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L

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A

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A

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E

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L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S
|
S

L
x
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

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G

E

H

A

A

L

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Y

V

L

V

S

D

P

S

A

G

E

S

V

T

G
x
Q

L

L

G

G

K

R

R

D

E

E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V

V

L

L

A

S

R

R

F

Y

V

V

D

D

V

A

I

I

A

V

C

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R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P
|
P

C
|
C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

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R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

N
|
N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

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R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

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I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S
|
S

M
|
M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

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|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

STRT 50:53 (≠ SLRT 49:52) binding carbamoyl phosphate
Q77 (≠ G76) binding carbamoyl phosphate
R101 (= R100) binding carbamoyl phosphate
HPCQ 128:131 (= HPCQ 127:130) binding carbamoyl phosphate
N160 (= N158) binding L-ornithine
D224 (= D222) binding L-ornithine
SM 228:229 (= SM 226:227) binding L-ornithine
CL 264:265 (≠ PL 262:263) binding carbamoyl phosphate
R292 (= R290) binding carbamoyl phosphate

2i6uA Crystal structure of ornithine carbamoyltransferase complexed with carbamoyl phosphate and l-norvaline from mycobacterium tuberculosis (rv1656) at 2.2 a (see paper)
48% identity, 95% coverage: 4:298/311 of query aligns to 3:300/307 of 2i6uA

query
sites
2i6uA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

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A

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E

I

Q

G

A

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E

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E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

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R

T

G

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A

A

L

V

V

I

F

F

E

D

K

K

P

N

S
|
S

L
x
T

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|
R

T
|
T

R

R

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F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

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Q

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G

E

H

A

A

L

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Y

V

L

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P

S

A

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E

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T

G

Q

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L

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G

K
x
R

R

D

E

E

P

T

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A

Q

D

D

V

T

A

A

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K

V

V

L

L

A

S

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R

F

Y

V

V

D

D

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I

A

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|
R

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T

F

F

G

G

H

Q

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E

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R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L
|
L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

N
|
N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S
|
S

M
|
M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R52 (= R51), T53 (= T52), R80 (≠ K79), R101 (= R100), H128 (= H127), Q131 (= Q130), D224 (= D222), C264 (≠ P262), R292 (= R290)
binding phosphoric acid mono(formamide)ester: S50 (= S49), T51 (≠ L50), R52 (= R51), T53 (= T52), R101 (= R100), C264 (≠ P262), L265 (= L263), R292 (= R290)
binding norvaline: L123 (= L122), N160 (= N158), D224 (= D222), S228 (= S226), M229 (= M227)

7np0A Crystal structure of mycobacterium tuberculosis argf in complex with (4-nitrophenyl)boronic acid.
49% identity, 95% coverage: 4:298/311 of query aligns to 4:298/305 of 7np0A

query
sites
7np0A

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S

S

L

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

-

P

-

A

-

E

D

V

S

G

G

L

L

G

G

K

R

R

D

E
|
E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V
|
V

L

L

A

S

R

R

F
x
Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

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D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

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P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

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H
|
H

P

P

C

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Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R99 (= R100), H126 (= H127), Q129 (= Q130), D222 (= D222), C262 (≠ P262), R290 (= R290)
binding p-nitrophenylboronic acid: E80 (= E81), V88 (= V89), Y92 (≠ F93)

7novA Crystal structure of mycobacterium tuberculosis argf in complex with (4-methyl-3-nitrophenyl)boronic acid.
48% identity, 95% coverage: 4:298/311 of query aligns to 4:295/302 of 7novA

query
sites
7novA

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

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E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S

S

L

T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

-

A

-

E

-

V

-

G

-

L

-

G

S

K

R

R

D

E
|
E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V
|
V

L

L

A

S

R

R

F
x
Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

T

G

E

L

K

D

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A
|
A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R96 (= R100), H123 (= H127), Q126 (= Q130), D219 (= D222), C259 (≠ P262), R287 (= R290)
binding (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron: R53 (= R51), F56 (≠ V54), E77 (= E81), V85 (= V89), Y89 (≠ F93), L260 (= L263), A284 (= A287), R287 (= R290)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
43% identity, 96% coverage: 4:303/311 of query aligns to 2:296/297 of 8qevA

query
sites
8qevA

K

K

D

D

L

F

L

L

S

A

I

I

S

D

D

D

L

F

S

D

P

T

D

A

D

T

I

I

G

K

R

T

L

I

L

L

S

D

D

K

A

A

I

S

E

E

L

V

K

K

A

A

-

L

-

K

R

S

G

G

W

E

N

R

S

N

C

Y

L

L

-

P

-

F

S

K

G

G

K

K

T

S

L

M

A

S

L

M

V

I

F

F

E

A

K

K

P

P

S
|
S

L
x
M

R
|
R

T
|
T

R

R

V

V

S

S

F

F

E

E

L

T

A

G

M

F

K

F

Q

L

L

L

G

G

E

H

A

A

L

L

Y

Y

L

L

S

G

P

P

A

N

E

D

V

I

G

Q

L

M

G

G

K

K

R

R

E

E

P

E

V

T

A

R

D

D

V

V

A

A

R

R

V

V

L

L

A

S

R

R

F

Y

V

N

D

D

V

I

I

I

A

M

C

A

R
|
R

T

V

F

F

G

A

H

H

D

Q

T

D

L

I

V

L

Q

D

L

L

A

A

K

N

Y

Y

A

S

D

S

I

V

P

P

V

V

I

V

N

N

A

G

L

L

S

T

D

D

L

H

E

N

H

H

P

P

C

C

Q

Q

A

I

L

M

A

A

D

D

I

A

L

L

T

T

I

M

Y

I

E

E

K

H

K

I

G

G

E

Q

L

V

K

E

G

G

L

T

N

K

L

V

A

V

Y

Y

I

V

G

G

D

D

G

G

N

N

C

M

A

V

N

H

S

S

L

W

L

L

L

E

A

L

C

A

A

S

M

V

T

I

G

P

I

F

N

H

C

F

R

V

L

C

A

A

S

C

P

P

E

K

G

G

Y

Y

L

E

V

P

D

D

K

K

A

E

I

R

F

V

A

S

K

K

A

A

K

K

A

-

Y

-

A

-

E

Q

D

A

S

G

G

L

A

S

E

K

L

I

Y

E

S

I

G

T

T

N

D

D

L

P

K

K

A

E

A

A

L

V

R

I

G

G

A

A

D

D

V

V

I

V

Y

Y

T

S

D

D

V

V

W

W

T

A

S

A

M

-

G

-

Q

-

E

-

A

-

E

-

T

-

E

E

K

A

R

R

L

R

K

K

D

A

F

F

A

Q

G

G

F

F

Q

Q

V

V

N

D

A

E

K

A

L

L

V

M

S

K

M

L

A

A

D

G

K

Q

D

K

A

A

I

Y

I

F

M

M

H

H

P
x
C

L
|
L

P

P

A

A

H

E

Y

R

G

G

E

V

E

E

V

V

D

T

R

N

E

G

I

V

L

V

E

E

C

A

P

P

Q

Y

S

S

V

I

I

V

F

F

D

P

Q

Q

A

A

E

E

N

N

R
|
R

L

M

H

H

A

A

Q

Q

K

N

A

A

V

I

L

M

R

L

D

H

M

L

L

L

G

G

binding phosphoric acid mono(formamide)ester: S52 (= S49), M53 (≠ L50), R54 (= R51), T55 (= T52), R103 (= R100), C255 (≠ P262), L256 (= L263), R283 (= R290)

7nnzB Crystal structure of mycobacterium tuberculosis argf in complex with 5-methyl-4-phenylthiazol-2-amine.
47% identity, 95% coverage: 4:298/311 of query aligns to 3:290/297 of 7nnzB

query
sites
7nnzB

K

R

D

H

L

F

L

L

S

R

I

D

S

D

D

D

L

L

S

S

P

P

D

A

D

E

I

Q

G

A

R

E

L

V

L

L

S

E

D

L

A

A

I

A

E

E

L

L

K

K

A

K

R

D

G

P

W

V

N

S

S

R

-

R

C

P

L

L

S

Q

G

G

-

P

K

R

T

G

L

V

A

A

L

V

V

I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

L

L

A

G

M

I

K

A

Q

Q

L

L

G

G

E

H

A

A

L

V

Y

V

L

V

S

D

P

S

A

G

E

S

V

T

G

Q

L

L

G

G

K

R

R

D

E

E

P

T

V

L

A

Q

D

D

V

T

A

A

R

K

V

V

L

L

A

S

R

R

F

Y

V

V

D

D

V

A

I

I

A

V

C

W

R
|
R

T

T

F

F

G

G

H

Q

D

E

T

R

L

L

V

D

Q

A

L

M

A

A

K

S

Y

V

A

A

D

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

L

E

E

F

H
|
H

P

P

C

C

Q
|
Q

A

V

L

L

A

A

D

D

I

L

L

Q

T

T

I

I

Y

A

E

E

K

R

K

K

G

G

E

A

L

L

K

R

G

G

L

L

N

R

L

L

A

S

Y

Y

I

F

G

G

D

D

G

G

-

A

N

N

C

M

A

A

N

H

S

S

L

L

A

G

C

G

A

V

M

T

T

A

G

G

I

I

N

H

C

V

R

T

L

V

A

A

S

A

P

P

E

E

G

G

Y

F

L

L

V

P

D

D

K

P

A

S

I

V

F

R

A

A

K

A

A

A

K

E

A

R

Y

R

A

A

E

Q

D

D

S

T

G

G

A

A

E

S

L

V

Y

T

S

V

G

T

T

A

D

D

L

A

K

H

A

A

L

A

R

A

G

G

A

A

D

D

V

V

I

L

Y

V

T

T

D
|
D

V

T

W

W

T

T

S

-

M

-

G

-

Q

-

E

-

A

-

E

-

T

-

E

-

K

-

R

R

L

V

K

K

D

P

F

F

A

R

G

P

F

F

Q

Q

V

L

N

N

A

S

K

R

L

L

V

L

S

A

M

L

A

A

D

D

K

S

D

D

A

A

I

I

I

V

M

L

H

H

P
x
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

V

I

D

T

R

D

E

A

I

V

L

M

E

D

C

G

P

P

Q

A

S

S

V

A

I

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

V

L

L

L

active site: R101 (= R100), H128 (= H127), Q131 (= Q130), D224 (= D222), C254 (≠ P262), R282 (= R290)
binding 5-methyl-4-phenyl-1,3-thiazol-2-amine: T51 (≠ L50), R52 (= R51), F55 (≠ V54)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
41% identity, 96% coverage: 4:302/311 of query aligns to 40:342/354 of P00481

query
sites
P00481

K

R

D

D

L

L

S

T

I

L

S

K

D

N

L

F

S

T

P

G

D

E

I

I

G

Q

R

Y

L

M

L

L

S

W

D

L

A

S

I

A

E

D

L

L

K

K

A

F

R

R

-

I

-

K

-

Q

-

K

-

G

G

E

W

Y

N

L

S

P

C

L

L

L

S

Q

G

G

K

K

T

S

L

L

A

G

L

M

V

I

F

F

E

E

K

K

P

R

S

S

L

T

R
|
R

T

T

R

R

V

L

S

S

F

T

E

E

L

T

A

G

M

F

K

A

Q

L

L

L

G

G

E

H

A

P

L

S

Y

F

L

L

S

T

P

T

A

Q

E

D

V

I

G

H

L

L

G

G

K

V

R

N

E

E

P

S

V

L

A

T

D

D

V

T

A

A

R

R

V

V

L

L

A

S

R

S

F

M

V

T

D

D

V

A

I

V

A

L

C

A

R

R

T

V

F

Y

G

K

H

Q

D

S

T

D

L

L

V

D

Q

I

L

L

A

A

K

K

Y

E

A

A

D

T

I

I

P

P

V

I

I

V

N

N

A

G

L

L

S

S

D

D

L

L

E

Y

H

H

P

P

C

I

Q

Q

A

I

L

L

A

A

D

D

I

Y

L

L

T

T

I

L

Y

Q

E

E

K

H

K

Y

G

G

E

S

L

L

K

K

G

G

L

L

N

T

L

L

A

S

Y

W

I

I

G

G

D

D

G

G

N

N

C

I

A

L

N

H

S

S

L

I

L

M

A

S

C

A

A

A

M

K

T

F

G

G

I

M

N

H

C

L

R

Q

L

A

A

A

S

T

P

P

E

K

G

G

Y

Y

L

E

V

P

D

D

K

P

A

N

I

I

F

V

A

K

K

L

A

A

K

E

A

Q

Y

Y

A

A

E

K

D

E

S

N

G

G

A

T

E

R

L

L

Y

S

S

M

G

T

T

N

D

D

L

P

K

L

A

E

A

A

L

A

R

R

G

G

A

G

D

N

V

V

I

L

Y

I

T

T

D

D

V

T

W

W

T

I

S

S

M

M

G

G

Q

Q

E

E

A

D

E

E

T

K

E

K

K

K

R

R

L

L

K

Q

D

A

F

F

A

Q

G

G

F

Y

Q

Q

V

V

N

T

A

M

K

K

L

T

V

A

S

K

M

V

A

A

D

A

K

S

D

D

A

W

I

T

I

F

M

L

H

H

P
x
C

L

L

P

P

A

R

H

K

Y

-

G

P

E

E

V

V

D

D

R

D

E

E

I

V

L

F

E

Y

C

S

P

P

Q

R

S

S

V

L

I

V

F

F

D

P

Q

E

A

A

E

E

N

N

R

R

L

K

H

W

A

T

Q

I

K

M

A

A

V

V

L

M

R

V

D

S

M

L

L

L

R92 (= R51) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (≠ P262) 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)
40% identity, 96% coverage: 4:302/311 of query aligns to 40:342/354 of P00480

query
sites
P00480

K
x
R

D

D

L

L

L
|
L

S

T

I

L

S
x
K

D

N

L

F

S

T

P

G

D

E

I

I

G

K

R
x
Y

L

M

L

L

S

W

D

L

A

S

I

A

E

D

L
|
L

K

K

A

F

R

R

-

I

-

K

-

Q

-

K

-

G

G

E

W

Y

N

L

S

P

C

L

L

L

S

Q

G

G

K

K

T

S

L

L

A

G

L

M

V

I

F

F

E

E

K
|
K

P

R

S
|
S

L
x
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

L

T

A
x
G

M
x
F

K

A

Q

L

L

L

G

G

E

H

A

P

L

C

Y

F

L
|
L

S

T

P

T

A

Q

E

D

V

I

G

H

L

L

G

G

K

V

R

N

E

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x
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R

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x
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Y

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A

A

K

K

Y

E

A

A

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I

I

P

P

V

I

I

I

N

N

A

G

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L

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S

D

D

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H
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H

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Q

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x
I

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A

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I
x
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T

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x
Y

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G
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G

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L

N

T

L

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A

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Y

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G

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D

G

G

N

N

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x
L

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x
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P

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A

A

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A

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Y

A

A

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E

S

N

G

G

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L

Y

L

S

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D

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P

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A

E

A

A

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T

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G

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x
E

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K

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R
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R

L

L

K

Q

D

A

F

F

A

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G

F

Y

Q

Q

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V

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T

A

M

K

K

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T

V

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S

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M

V

A

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D

A

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D

A

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H

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x
C

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L

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P

A

R

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K

Y

-

G

P

E
|
E

E

E

V

V

D

D

R

D

E

E

I

V

L

F

E

Y

C

S

P

P

Q

R

S

S

V

L

I

V

F

F

D

P

Q

E

A

A

E

E

N

N

R
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R

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W

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x
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A

A

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x
S

M

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L

L

R40 (≠ K4) to H: in OTCD; late onset; dbSNP:rs72554308
L43 (= L7) to F: in dbSNP:rs72554309
K46 (≠ S10) to R: in dbSNP:rs1800321
Y55 (≠ R19) to D: in OTCD; late onset; dbSNP:rs72554319
L63 (= L27) to P: in OTCD; late onset; dbSNP:rs72554324
K88 (= K47) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (≠ SLRT 49:52) binding carbamoyl phosphate
G100 (≠ A59) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M60) to L: in dbSNP:rs1133135
L111 (= L70) to P: in dbSNP:rs1800324
T125 (≠ A84) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D85) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (= R88) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (≠ C99) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R100) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H127) binding carbamoyl phosphate
Q171 (= Q130) binding carbamoyl phosphate
I172 (≠ A131) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ I135) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TI 137:138) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ K142) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G147) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G154) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D155) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (≠ A160) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ A166) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (= A168) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ I172) to K: in OTCD; late onset
H214 (≠ N173) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P179) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (≠ V184) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (= L203) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T221) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V223) 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 (= G228) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (= Q229) to R: in dbSNP:rs1800328
E272 (≠ A231) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (= R236) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H261) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (≠ P262) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (≠ PL 262:263) binding carbamoyl phosphate
E309 (= E269) natural variant: Missing (in OTCD; late onset)
R330 (= R290) binding carbamoyl phosphate
T333 (≠ A293) natural variant: T -> A
S340 (≠ D300) 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)
40% identity, 96% coverage: 4:302/311 of query aligns to 7:309/321 of 1othA

query
sites
1othA

K

R

D

D

L

L

S

T

I

L

S

K

D

N

L

F

S

T

P

G

D

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I

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M

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W

D

L

A

S

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A

E

D

L

L

K

K

A

F

R

R

-

I

-

K

-

Q

-

K

-

G

G

E

W

Y

N

L

S

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C

L

L

L

S

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G

G

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K

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S

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G

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F

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E

K

K

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S

L
x
T

R
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R

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T

R

R

V

L

S

S

F

T

E

E

L

T

A

G

M

F

K

A

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L

L

L

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G

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A

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Y

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x
V

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A

A

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D

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L

A

A

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K

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A

A

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I

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L

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H

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K

G

G

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L

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T

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A

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A

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A

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A

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K

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A

A

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Y

A

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G

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M

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G

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E

A

E

E

E

T

K

E

K

K

K

R

R

L

L

K

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D

A

F

F

A

Q

G

G

F

Y

Q

Q

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V

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T

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V

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V

A

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D

A

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D

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T

I

F

M

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H

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x
C

L
|
L

P

P

A

R

H

K

Y

-

G

P

E

E

V

V

D

D

R

D

E

E

I

V

L

F

E

Y

C

S

P

P

Q

R

S

S

V

L

I

V

F

F

D

P

Q

E

A

A

E

E

N

N

R
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R

L

K

H

W

A

T

Q

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A

A

V

V

L

M

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L

L

active site: R59 (= R51), T60 (= T52), V87 (≠ K79), R108 (= R100), H135 (= H127), Q138 (= Q130), D230 (= D222), C270 (≠ P262), R297 (= R290)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S49), T58 (≠ L50), R59 (= R51), T60 (= T52), R108 (= R100), L130 (= L122), H135 (= H127), N166 (= N158), D230 (= D222), S234 (= S226), M235 (= M227), C270 (≠ P262), L271 (= L263), R297 (= R290)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
40% identity, 96% coverage: 4:302/311 of query aligns to 7:309/321 of 1c9yA

query
sites
1c9yA

K

R

D

D

L

L

S

T

I

L

S

K

D

N

L

F

S

T

P

G

D

E

I

I

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K

R

Y

L

M

L

L

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W

D

L

A

S

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A

E

D

L

L

K

K

A

F

R

R

-

I

-

K

-

Q

-

K

-

G

G

E

W

Y

N

L

S

P

C

L

L

L

S

Q

G

G

K

K

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S

L

L

A

G

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M

V

I

F

F

E

E

K

K

P

R

S
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S

L
x
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

L

T

A

G

M

F

K

A

Q

L

L

L

G

G

E

H

A

P

L

C

Y

F

L

L

S

T

P

T

A

Q

E

D

V

I

G

H

L

L

G

G

K
x
V

R

N

E

E

P

S

V

L

A

T

D

D

V

T

A

A

R

R

V

V

L

L

A

S

R

S

F

M

V

A

D

D

V

A

I

V

A

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C

A

R
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R

T

V

F

Y

G

K

H

Q

D

S

T

D

L

L

V

D

Q

T

L

L

A

A

K

K

Y

E

A

A

D

S

I

I

P

P

V

I

I

I

N

N

A

G

L
|
L

S

S

D

D

L

L

E

Y

H
|
H

P

P

C

I

Q
|
Q

A

I

L

L

A

A

D

D

I

Y

L

L

T

T

I

L

Y

Q

E

E

K

H

K

Y

G

S

E

S

L

L

K

K

G

G

L

L

N

T

L

L

A

S

Y

W

I

I

G

G

D

D

G

G

N

N

N
|
N

C

I

A

L

N

H

S

S

L

I

L

M

A

S

C

A

A

A

M

K

T

F

G

G

I

M

N

H

C

L

R

Q

L

A

A

A

S

T

P

P

E

K

G

G

Y

Y

L

E

V

P

D

D

K

A

A

S

I

V

F

T

A

K

K

L

A

A

K

E

A

Q

Y

Y

A

A

E

K

D

E

S

N

G

G

A

T

E

K

L

L

Y

L

S

L

G

T

T

N

D

D

L

P

K

L

A

E

A

A

L

A

R

H

G

G

A

G

D

N

V

V

I

L

Y

I

T

T

D
|
D

V

T

W

W

T

I

S
|
S

M
|
M

G

G

Q

R

E

E

A

E

E

E

T

K

E

K

K

K

R

R

L

L

K

Q

D

A

F

F

A

Q

G

G

F

Y

Q

Q

V

V

N

T

A

M

K

K

L

T

V

A

S

K

M

V

A

A

D

A

K

S

D

D

A

W

I

T

I

F

M

L

H

H

P
x
C

L
|
L

P

P

A

R

H

K

Y

-

G

P

E

E

V

V

D

D

R

D

E

E

I

V

L

F

E

Y

C

S

P

P

Q

R

S

S

V

L

I

V

F

F

D

P

Q

E

A

A

E

E

N

N

R
|
R

L

K

H

W

A

T

Q

I

K

M

A

A

V

V

L

M

R

V

D

S

M

L

L

L

active site: R59 (= R51), T60 (= T52), V87 (≠ K79), R108 (= R100), H135 (= H127), Q138 (= Q130), D230 (= D222), C270 (≠ P262), R297 (= R290)
binding phosphoric acid mono(formamide)ester: S57 (= S49), T58 (≠ L50), R59 (= R51), T60 (= T52), R108 (= R100), C270 (≠ P262), L271 (= L263), R297 (= R290)
binding norvaline: L130 (= L122), N166 (= N158), D230 (= D222), S234 (= S226), M235 (= M227)

Query Sequence

>WP_010937080.1 NCBI__GCF_000011905.1:WP_010937080.1
MNTKDLLSISDLSPDDIGRLLSDAIELKARGWNSCLSGKTLALVFEKPSLRTRVSFELAM
KQLGGEALYLSPAEVGLGKREPVADVARVLARFVDVIACRTFGHDTLVQLAKYADIPVIN
ALSDLEHPCQALADILTIYEKKGELKGLNLAYIGDGNNCANSLLLACAMTGINCRLASPE
GYLVDKAIFAKAKAYAEDSGAELYSGTDLKAALRGADVIYTDVWTSMGQEAETEKRLKDF
AGFQVNAKLVSMADKDAIIMHPLPAHYGEEVDREILECPQSVIFDQAENRLHAQKAVLRD
MLGGLEIGGRH

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