SitesBLAST

Y228 (≠ S224) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (vs. gap) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E271) 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
22 W→A: Decreased heat stability.
26 E→Q: Increased dissociation of dodecamers into trimers.
30 M→A: Increased dissociation of dodecamers into trimers.
34 W→A: Increased dissociation of dodecamers into trimers.

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
34% identity, 93% coverage: 12:302/314 of query aligns to 13:304/307 of 4nf2A

query
sites
4nf2A

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active site: R55 (= R49), T56 (= T50), R83 (≠ T77), R104 (= R98), H131 (= H128), Q134 (= Q131), D226 (= D226), C265 (= C263), R293 (= R291)
binding phosphoric acid mono(formamide)ester: S53 (= S47), T54 (≠ M48), R55 (= R49), T56 (= T50), R104 (= R98), H131 (= H128), Q134 (= Q131), C265 (= C263), L266 (= L264), R293 (= R291)
binding norvaline: L126 (= L123), N162 (= N159), D226 (= D226), S230 (= S230), M231 (= M231)

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
34% identity, 93% coverage: 12:302/314 of query aligns to 17:308/316 of Q81M99

query
sites
Q81M99

V

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STRT 57:60 (≠ SMRT 47:50) binding carbamoyl phosphate
Q84 (≠ G74) binding carbamoyl phosphate
R108 (= R98) binding carbamoyl phosphate
HPCQ 135:138 (≠ HPTQ 128:131) binding carbamoyl phosphate
N166 (= N159) binding L-ornithine
D230 (= D226) binding L-ornithine
SM 234:235 (= SM 230:231) binding L-ornithine
CL 269:270 (= CL 263:264) binding carbamoyl phosphate
R297 (= R291) binding carbamoyl phosphate

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
34% identity, 86% coverage: 33:301/314 of query aligns to 38:304/304 of 8qeuA

query
sites
8qeuA

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L

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H

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E

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G

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E

A

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A

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E

K

A

-

D

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M

-

A

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I

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-

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Y

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-

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E

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A

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A

A

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N

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M

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A

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L

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P

A

A

H

E

R

R

G

G

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E

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I

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A

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F

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Q

A

A

G

E

H

N

R

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A

A

-

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-

N

-

A

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M

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L

L

A

G

F

F

binding L-ornithine: L125 (= L123), N161 (= N159), D222 (= D226), S226 (= S230), M227 (= M231), L263 (= L264)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
33% identity, 86% coverage: 33:301/314 of query aligns to 38:297/297 of 8qevA

query
sites
8qevA

P

P

L

F

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G

G

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A

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N

L

G

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T

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N

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E

A

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A

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A

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A

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A

-

D

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M

-

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-

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-

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-

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E

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A

A

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G

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A

A

-

G

-

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I

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L

I

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N

S

D

P

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A

A

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I

G

G

A

A

D

D

V

V

L

V

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T

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D

D

V

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W

W

V

A

S

A

M

-

G

-

E

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E

A

A

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R

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K

A

A

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G

G

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A

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L

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T

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E

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A

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A

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H

H

C
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C

L
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L

P

P

A

A

H

E

R

R

G

G

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E

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I

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E

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A

N

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G

V

V

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V

D

E

G

A

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P

H

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S

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F

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P

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Q

A

A

G

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R
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R

V

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T

H

A

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N

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M

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L

L

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G

F

F

binding phosphoric acid mono(formamide)ester: S52 (= S47), M53 (= M48), R54 (= R49), T55 (= T50), R103 (= R98), C255 (= C263), L256 (= L264), R283 (= R291)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
33% identity, 87% coverage: 34:306/314 of query aligns to 77:346/354 of P00481

query
sites
P00481

L

L

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G

G

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R

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A

A

A

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L

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G

G

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H

P

P

V

S

F

F

F

L

T

T

G

T

D

Q

E

D

I

I

G

H

I

L

D

G

T

V

R

N

E

E

A

S

A

L

E

T

D

D

V

T

A

A

E

R

V

V

L

L

A

S

R

S

H

M

H

T

R

D

V

A

V

V

G

L

A

A

R

R

L

V

R

Y

R

K

H

Q

A

S

T

D

F

L

E

D

R

I

M

L

A

A

P

K

R

E

F

A

A

T

G

-

H

-

Q

-

R

I

P

P

F

I

V

V

N

N

L

G

L

L

T

S

D

D

R

L

A

Y

H

H

P

P

T

I

Q

Q

A

I

I

L

A

A

D

D

V

Y

I

L

T

T

I

L

H

Q

E

E

A

H

L

Y

G

G

T

S

L

L

E

K

G

G

V

L

R

T

I

L

A

S

W

W

I

I

G

G

D

D

A

G

N

N

V

I

A

L

R

H

S

S

L

I

A

M

K

M

A

S

A

A

G

A

A

K

L

F

G

G

A

M

E

H

V

L

R

Q

I

A

A

A

A

T

P

P

A

K

G

G

F

Y

Q

-

F

-

S

-

E

E

A

P

D

D

M

-

A

P

E

N

I

I

D

V

A

K

Y

L

L

A

E

E

R

Q

A

Y

G

A

R

K

A

E

R

N

G

G

A

T

-

R

I

L

A

S

L

M

F

T

D

N

S

D

P

P

T

L

S

E

A

A

R

R

G

G

A

G

D

N

V

V

L

L

S

I

T

T

D

D

V

T

W

W

V

I

S

S

M

M

G

G

E

Q

D

E

P

D

A

E

K

K

R

K

-

K

-

R

-

L

S

Q

A

A

F

F

E

Q

G

G

W

Y

A

Q

L

V

T

T

E

M

A

K

L

T

V

A

A

K

E

V

A

A

S

A

D

S

E

D

V

W

G

T

I

F

L

L

H

H

C
|
C

L

L

P

P

A

-

H

R

R

K

G

P

E

E

I

V

E

D

A

D

S

E

V

V

L

F

D

Y

G

S

P

P

H

R

S

S

W

L

A

V

F

F

R

P

Q

E

A

A

G

E

H

N

R

R

V

K

-

W

T

T

A

I

M

M

V

A

R

V

L

M

L

V

A

S

F

L

L

L

V

T

D

D

R

Y

A

S

R92 (= R49) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C263) 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)
32% identity, 87% coverage: 34:306/314 of query aligns to 77:346/354 of P00480

query
sites
P00480

L

L

R

Q

G

G

G

K

T

S

I

L

A

G

G

M

V

I

F

F

E

E

H
x
K

P

R

S
|
S

M
x
T

R
|
R

T
|
T

R

R

S

L

A

S

L

T

G

E

V

T

A
x
G

A
x
F

A

A

A

L

L

L

G

G

A

G

T

H

P

P

V

C

F

F

F
x
L

T

T

G

T

D

Q

E

D

I

I

G

H

I

L

D

G

T

V

R

N

E

E

A

S

A

L

E
x
T

D
|
D

V

T

A

A

E
x
R

V

V

L

L

A

S

R

S

H

M

H

A

R

D

V

A

V

V

G

L

A
|
A

R
|
R

L

V

R

Y

R

K

H

Q

A

S

T

D

F

L

E

D

R

T

M

L

A

A

P

K

R

E

F

A

A

S

G

-

H

-

Q

-

R

I

P

P

F

I

V

I

N

N

L

G

L

L

T

S

D

D

R

L

A

Y

H
|
H

P

P

T

I

Q
|
Q

A
x
I

I

L

A

A

D

D

V
x
Y

I

L

T
|
T

I
x
L

H

Q

E

E

A

H

L
x
Y

G

S

T

S

L

L

E

K

G
|
G

V

L

R

T

I

L

A

S

W

W

I

I

G
|
G

D
|
D

A

G

N

N

V

I

A
x
L

R

H

S

S

L

I

A

M

K

M

A
x
S

A

A

G
x
A

A

K

L

F

G

G

A
x
M

E
x
H

V

L

R

Q

I

A

A

A

A

T

P
|
P

A

K

G

G

F

Y

Q

-

F

-

S

-

E

E

A
x
P

D

D

M

-

A

A

E

S

I

V

D

T

A

K

Y

L

L

A

E

E

R

Q

A

Y

G

A

R

K

A

E

R

N

G

G

A

T

-

K

I
x
L

A

L

L

L

F

T

D

N

S

D

P

P

T

L

S

E

A

A

R

H

G

G

A

G

D

N

V

V

L

L

S

I

T
|
T

D

D

V
x
T

W
|
W

V

I

S

S

M

M

G
|
G

E
x
Q

D

E

P
x
E

A

E

K

K

R

K

-

K

-
x
R

-

L

S

Q

A

A

F

F

E

Q

G

G

W

Y

A

Q

L

V

T

T

E

M

A

K

L

T

V

A

A

K

E

V

A

A

S

A

D

S

E

D

V

W

G

T

I

F

L

L

H
|
H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E
|
E

E

E

I

V

E

D

A

D

S

E

V

V

L

F

D

Y

G

S

P

P

H

R

S

S

W

L

A

V

F

F

R

P

Q

E

A

A

G

E

H

N

R
|
R

V

K

-

W

T
|
T

A

I

M

M

V

A

R

V

L

M

L

V

A
x
S

F

L

L

L

V
x
T

D

D

R

Y

A

S

K88 (≠ H45) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (≠ SMRT 47:50) binding carbamoyl phosphate
G100 (≠ A57) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ A58) to L: in dbSNP:rs1133135
L111 (≠ F68) to P: in dbSNP:rs1800324
T125 (≠ E82) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D83) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (≠ E86) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (= A97) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R98) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H128) binding carbamoyl phosphate
Q171 (= Q131) binding carbamoyl phosphate
I172 (≠ A132) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ V136) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TI 138:139) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ L143) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G148) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G155) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D156) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (≠ A161) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ A167) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (≠ G169) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ A173) to K: in OTCD; late onset
H214 (≠ E174) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P180) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (≠ A188) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (≠ I207) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T225) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V227) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W228) to L: in OTCD; mild; dbSNP:rs72558446
G269 (= G232) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (≠ E233) to R: in dbSNP:rs1800328
E272 (≠ P235) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (vs. gap) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H262) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C263) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 263:264) binding carbamoyl phosphate
E309 (= E270) natural variant: Missing (in OTCD; late onset)
R330 (= R291) binding carbamoyl phosphate
T333 (= T293) natural variant: T -> A
S340 (≠ A300) to P: in OTCD; late onset; dbSNP:rs72558489
T343 (≠ V303) to K: in OTCD; late onset; dbSNP:rs72558491

Sites not aligning to the query:

1:32 modified: transit peptide, Mitochondrion
15 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-23 and G-26.
23 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-15 and G-26.
26 R→G: Loss of cleavage of the transit peptide and loss of localization to mitochondrial matrix; when associated with G-15 and G-23.
39 G → C: in OTCD; late onset; dbSNP:rs72554306
40 R → H: in OTCD; late onset; dbSNP:rs72554308
43 L → F: in dbSNP:rs72554309
46 K → R: in dbSNP:rs1800321
55 Y → D: in OTCD; late onset; dbSNP:rs72554319
63 L → P: in OTCD; late onset; dbSNP:rs72554324

1othA Crystal structure of human ornithine transcarbamoylase complexed with n-phosphonacetyl-l-ornithine (see paper)
32% identity, 87% coverage: 34:306/314 of query aligns to 44:313/321 of 1othA

query
sites
1othA

L

L

R

Q

G

G

G

K

T

S

I

L

A

G

G

M

V

I

F

F

E

E

H

K

P

R

S
|
S

M
x
T

R
|
R

T
|
T

R

R

S

L

A

S

L

T

G

E

V

T

A

G

A

F

A

A

A

L

L

L

G

G

A

G

T

H

P

P

V

C

F

F

F

L

T

T

G

T

D

Q

E

D

I

I

G

H

I

L

D

G

T
x
V

R

N

E

E

A

S

A

L

E

T

D

D

V

T

A

A

E

R

V

V

L

L

A

S

R

S

H

M

H

A

R

D

V

A

V

V

G

L

A

A

R
|
R

L

V

R

Y

R

K

H

Q

A

S

T

D

F

L

E

D

R

T

M

L

A

A

P

K

R

E

F

A

A

S

G

-

H

-

Q

-

R

I

P

P

F

I

V

I

N

N

L

G

L
|
L

T

S

D

D

R

L

A

Y

H
|
H

P

P

T

I

Q
|
Q

A

I

I

L

A

A

D

D

V

Y

I

L

T

T

I

L

H

Q

E

E

A

H

L

Y

G

S

T

S

L

L

E

K

G

G

V

L

R

T

I

L

A

S

W

W

I

I

G

G

D

D

A

G

N

N

N
|
N

V

I

A

L

R

H

S

S

L

I

A

M

K

M

A

S

A

A

G

A

A

K

L

F

G

G

A

M

E

H

V

L

R

Q

I

A

A

A

A

T

P

P

A

K

G

G

F

Y

Q

-

F

-

S

-

E

E

A

P

D

D

M

-

A

A

E

S

I

V

D

T

A

K

Y

L

L

A

E

E

R

Q

A

Y

G

A

R

K

A

E

R

N

G

G

A

T

-

K

I

L

A

L

L

L

F

T

D

N

S

D

P

P

T

L

S

E

A

A

R

H

G

G

A

G

D

N

V

V

L

L

S

I

T

T

D
|
D

V

T

W

W

V

I

S
|
S

M
|
M

G

G

E

R

D

E

P

E

A

E

K

K

R

K

-

K

-

R

-

L

S

Q

A

A

F

F

E

Q

G

G

W

Y

A

Q

L

V

T

T

E

M

A

K

L

T

V

A

A

K

E

V

A

A

S

A

D

S

E

D

V

W

G

T

I

F

L

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

I

V

E

D

A

D

S

E

V

V

L

F

D

Y

G

S

P

P

H

R

S

S

W

L

A

V

F

F

R

P

Q

E

A

A

G

E

H

N

R
|
R

V

K

-

W

T

T

A

I

M

M

V

A

R

V

L

M

L

V

A

S

F

L

L

L

V

T

D

D

R

Y

A

S

active site: R59 (= R49), T60 (= T50), V87 (≠ T77), R108 (= R98), H135 (= H128), Q138 (= Q131), D230 (= D226), C270 (= C263), R297 (= R291)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S47), T58 (≠ M48), R59 (= R49), T60 (= T50), R108 (= R98), L130 (= L123), H135 (= H128), N166 (= N159), D230 (= D226), S234 (= S230), M235 (= M231), C270 (= C263), L271 (= L264), R297 (= R291)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
32% identity, 87% coverage: 34:306/314 of query aligns to 44:313/321 of 1c9yA

query
sites
1c9yA

L

L

R

Q

G

G

G

K

T

S

I

L

A

G

G

M

V

I

F

F

E

E

H

K

P

R

S
|
S

M
x
T

R
|
R

T
|
T

R

R

S

L

A

S

L

T

G

E

V

T

A

G

A

F

A

A

A

L

L

L

G

G

A

G

T

H

P

P

V

C

F

F

F

L

T

T

G

T

D

Q

E

D

I

I

G

H

I

L

D

G

T
x
V

R

N

E

E

A

S

A

L

E

T

D

D

V

T

A

A

E

R

V

V

L

L

A

S

R

S

H

M

H

A

R

D

V

A

V

V

G

L

A

A

R
|
R

L

V

R

Y

R

K

H

Q

A

S

T

D

F

L

E

D

R

T

M

L

A

A

P

K

R

E

F

A

A

S

G

-

H

-

Q

-

R

I

P

P

F

I

V

I

N

N

L

G

L
|
L

T

S

D

D

R

L

A

Y

H
|
H

P

P

T

I

Q
|
Q

A

I

I

L

A

A

D

D

V

Y

I

L

T

T

I

L

H

Q

E

E

A

H

L

Y

G

S

T

S

L

L

E

K

G

G

V

L

R

T

I

L

A

S

W

W

I

I

G

G

D

D

A

G

N

N

N
|
N

V

I

A

L

R

H

S

S

L

I

A

M

K

M

A

S

A

A

G

A

A

K

L

F

G

G

A

M

E

H

V

L

R

Q

I

A

A

A

A

T

P

P

A

K

G

G

F

Y

Q

-

F

-

S

-

E

E

A

P

D

D

M

-

A

A

E

S

I

V

D

T

A

K

Y

L

L

A

E

E

R

Q

A

Y

G

A

R

K

A

E

R

N

G

G

A

T

-

K

I

L

A

L

L

L

F

T

D

N

S

D

P

P

T

L

S

E

A

A

R

H

G

G

A

G

D

N

V

V

L

L

S

I

T

T

D
|
D

V

T

W

W

V

I

S
|
S

M
|
M

G

G

E

R

D

E

P

E

A

E

K

K

R

K

-

K

-

R

-

L

S

Q

A

A

F

F

E

Q

G

G

W

Y

A

Q

L

V

T

T

E

M

A

K

L

T

V

A

A

K

E

V

A

A

S

A

D

S

E

D

V

W

G

T

I

F

L

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

I

V

E

D

A

D

S

E

V

V

L

F

D

Y

G

S

P

P

H

R

S

S

W

L

A

V

F

F

R

P

Q

E

A

A

G

E

H

N

R
|
R

V

K

-

W

T

T

A

I

M

M

V

A

R

V

L

M

L

V

A

S

F

L

L

L

V

T

D

D

R

Y

A

S

active site: R59 (= R49), T60 (= T50), V87 (≠ T77), R108 (= R98), H135 (= H128), Q138 (= Q131), D230 (= D226), C270 (= C263), R297 (= R291)
binding phosphoric acid mono(formamide)ester: S57 (= S47), T58 (≠ M48), R59 (= R49), T60 (= T50), R108 (= R98), C270 (= C263), L271 (= L264), R297 (= R291)
binding norvaline: L130 (= L123), N166 (= N159), D230 (= D226), S234 (= S230), M235 (= M231)

P05150 Ornithine carbamoyltransferase; Ornithine transcarbamylase; OTCase; EC 2.1.3.3 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
31% identity, 95% coverage: 12:308/314 of query aligns to 17:333/338 of P05150

query
sites
P05150

V

I

D

K

D

D

L

L

A

S

P

D

E

E

D

E

M

F

R

R

R

I

L

L

V

V

T

Q

E

R

A

A

V

Q

A

H

A

F

S

K

G

N

-

V

-

F

-

K

-

A

-

N

-

K

-

T

-

N

-

D

-

F

-

Q

-

S

-

N

-

H

-

L

P

K

L

L

R

L

G

G

G

R

T

T

I

I

A

A

G

L

V

I

F

F

E

T

H

K

P

R

S

S

M
x
T

R

R

T

T

R

R

S

I

A

S

L

T

G

E

V

G

A

A

A

T

A

F

L

F

G

G

A

A

T

Q

P

P

V

M

F

F

F

L

T

G

G

K

D

E

E

D

I

I

G

Q

I

L

D

G

T

V

R

N

E

E

A

S

A

F

E

Y

D

D

V

T

A

T

E

K

V

V

L

V

A

S

R

S

H

M

H

V

R

S

V

C

V

I

G

F

A

A

R

R

L

V

R

N

R

K

H

H

A

-

T

-

F

-

E

E

R

D

M

I

A

L

P

A

R

F

F

C

A

K

G

D

H

S

Q

S

R

V

P

P

F

I

V

I

N

N

L

S

L

L

T

C

D

D

R

K

A

F

H

H

P

P

T

L

Q

Q

A

A

I

I

A

C

D

D

V

L

I

L

T

T

I

I

H

I

E

E

A

N

L

F

-

N

-

I

-

S

-

L

-

D

-

E

-

V

-

N

-

K

G

G

T

I

L

N

E

S

G

K

V

L

R

K

I

M

A

A

W

W

I

I

G
|
G

D
|
D

A

A

N
|
N

V

V

A

I

R

N

S

D

L

M

A

C

K

I

A

A

A

C

G

L

A

K

L

F

G

G

A

I

E

S

V

V

R

S

I

I

A

S

A

T

P

P

A

P

G

G

F

I

Q

-

F

-

S

-

E

E

A

M

D

D

M

S

A

D

E

I

I

V

D

D

A

E

Y

A

L

K

E

K

R

V

A

A

G

E

R

R

A

N

R

G

G

A

A

T

I

F

A

E

L

L

F

T

D

H

S

D

P

S

T

L

S

K

A

A

A

S

R

T

G

N

A

A

D

N

V

I

L

L

S

V

T

T

D

D

V

T

W

F

V

V

S

S

M

M

G

G

E
|
E

D

E

P

F

A

A

K

K

R

Q

S

A

A
x
K

-

L

-

K

-

Q

F

F

E

K

G

G

W

F

A

Q

L

I

T

N

E

Q

A

E

L

L

V

V

A

S

E

V

A

A

S

D

D

P

E

N

V

Y

G

K

I

F

L

M

H

H

C
|
C

L
|
L

P

P

A

R

H

H

R

Q

G

-

E

E

I

V

E

S

A

D

S

D

V

V

L

F

D

Y

G

G

P

E

H

H

S

S

W

I

A

V

F

F

R

E

Q

E

A

A

G

E

H

N

R

R

V

L

T

Y

A

A

M

A

V

M

R

S

L

A

L

I

A

D

F

I

L

F

V

V

D

N

R

N

A

K

G

G

S

N

T68 (≠ M48) mutation to G: Reduces activity by 95%. Reduces affinity for ornithine 2-fold.
G181 (= G155) mutation to R: Loss of activity.
D182 (= D156) mutation to N: Reduces activity by 33%. Reduces affinity for ornithine 30-fold.
N184 (= N158) mutation to Q: Reduces activity by 50%. Reduces affinity for ornithine 20-fold.
N185 (= N159) mutation to Q: No effect on activity. Reduces affinity for ornithine 200-fold.
E256 (= E233) mutation to Q: Reduces activity by 50%.
K263 (≠ A240) mutation to A: Reduces activity by 70%. Reduces affinity for ornithine 18-fold.
C289 (= C263) mutation to S: Reduces activity by 90%. Reduces affinity for ornithine 6-fold.
L290 (= L264) mutation to S: Reduces activity by 86%.

4a8hA Crystal structure of putrescine transcarbamylase from enterococcus faecalis with n-(phosphonoacetyl)-putrescine (see paper)
29% identity, 86% coverage: 34:304/314 of query aligns to 39:310/340 of 4a8hA

query
sites
4a8hA

L

L

R

K

G

N

G

K

T

S

I

L

A

G

G

M

V

I

F

F

E

Q

H

Q

P

S

S
|
S

M
x
T

R
|
R

T
|
T

R

R

S

V

A

S

L

F

G

E

V

T

A

A

A

M

A

E

A

Q

L

L

G

G

A

G

T

H

P

G

V

E

F

Y

F

L

T

A

G

P

D

G

E

Q

I

I

G

Q

I

L

D

G

T
x
G

R

H

E

E

A

T

A

I

E

E

D

D

V

T

A

S

E

R

V

V

L

L

A

S

R

R

H

L

H

V

R

D

V

I

V

L

G

M

A

A

R
|
R

L

V

R

E

R

R

H

H

A

H

T

S

F

I

E

V

R

D

M

L

A

A

P

-

R

-

F

-

A

N

G

C

H

A

Q

T

R

I

P

P

F

V

V

I

N

N

L

G

L
x
M

T

S

D

D

R

Y

A

N

H
|
H

P

P

T

T

Q
|
Q

A

E

I

L

A

G

D

D

V

L

I

C

T

T

I

M

H

V

E

E

A

H

L

L

-

P

-

E

-

G

G

K

T

K

L

L

E

E

G

D

V

C

R

K

I

V

A

V

W

F

I

V

G

G

D

D

A

A

N

T

N
x
Q

V

V

A

C

R

F

S

S

L

L

A

G

K

L

A

I

A

T

G

T

A

K

L

M

G

G

A

M

E

N

V

F

R

V

I

H

A

F

A

G

P

P

A

E

G

G

F

F

Q

Q

F

L

S

N

E

E

A

E

D

H

M

Q

A

A

E

K

I

L

D

A

A

K

Y

N

L

C

E

E

R

V

A

S

G

G

R

-

A

-

R

-

G

G

A

S

I

F

A

L

L

V

F

T

D

D

S

D

P

-

T

A

S

S

A

S

A

V

R

E

G

G

A

A

D

D

V

F

L

L

S

Y

T

T

D
|
D

V

V

W

W

V

Y

-

G

-

L

-

Y

-

E

-

A

S

E

M

L

G

S

E

E

D

E

P

E

A

R

K

M

R

K

S

V

A

F

F

Y

E

P

G

K

W

Y

A

Q

L

V

T

N

E

Q

A

E

L

M

V

M

A

D

E

R

A

A

S

G

D

A

E

N

V

C

G

K

I

F

L

M

H

H

C
|
C

L
|
L

P

P

A

A

H

T

R

R

G

G

E

E

I

V

E

T

A

D

S

E

V

V

L

I

D

D

G

G

P

K

H

N

S

S

W

I

A

C

F

F

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

T

A

S

M

I

V

R

R

G

L

L

A

V

F

Y

L

L

V

M

D

N

active site: R54 (= R49), T55 (= T50), G82 (≠ T77), R103 (= R98), H130 (= H128), Q133 (= Q131), D227 (= D226), C269 (= C263), R297 (= R291)
binding n-(phosphonoacetyl)-putrescine: S52 (= S47), T53 (≠ M48), R54 (= R49), T55 (= T50), R103 (= R98), M125 (≠ L123), H130 (= H128), Q164 (≠ N159), D227 (= D226), C269 (= C263), L270 (= L264), R297 (= R291)

Q837U7 Putrescine carbamoyltransferase; PTC; PTCase; Agmatine catabolism protein B; Putrescine transcarbamoylase; Putrescine transcarbamylase; EC 2.1.3.6 from Enterococcus faecalis (strain ATCC 700802 / V583) (see paper)
29% identity, 86% coverage: 34:304/314 of query aligns to 39:310/339 of Q837U7

query
sites
Q837U7

L

L

R

K

G

N

G

K

T

S

I

L

A

G

G

M

V

I

F

F

E

Q

H

Q

P

S

S

S

M

T

R
|
R

T

T

R

R

S

V

A

S

L

F

G

E

V

T

A

A

A

M

A

E

A

Q

L

L

G

G

A

G

T

H

P

G

V

E

F

Y

F

L

T

A

G

P

D

G

E

Q

I

I

G

Q

I

L

D

G

T

G

R

H

E

E

A

T

A

I

E

E

D

D

V

T

A

S

E

R

V

V

L

L

A

S

R

R

H

L

H

V

R

D

V

I

V

L

G

M

A

A

R

R

L

V

R

E

R

R

H

H

A

H

T

S

F

I

E

V

R

D

M

L

A

A

P

-

R

-

F

-

A

N

G

C

H

A

Q

T

R

I

P

P

F

V

V

I

N

N

L

G

L

M

T

S

D

D

R

Y

A

N

H

H

P

P

T

T

Q

Q

A

E

I

L

A

G

D

D

V

L

I

C

T

T

I

M

H

V

E

E

A

H

L

L

-

P

-

E

-

G

G

K

T

K

L

L

E

E

G

D

V

C

R

K

I

V

A

V

W

F

I

V

G

G

D

D

A

A

N

T

N

Q

V

V

A

C

R

F

S

S

L

L

A

G

K

L

A

I

A

T

G

T

A

K

L

M

G

G

A

M

E

N

V

F

R

V

I

H

A

F

A

G

P

P

A

E

G

G

F

F

Q

Q

F

L

S

N

E

E

A

E

D

H

M

Q

A

A

E

K

I

L

D

A

A

K

Y

N

L

C

E

E

R

V

A

S

G

G

R

-

A

-

R

-

G

G

A

S

I

F

A

L

L

V

F

T

D

D

S

D

P

-

T

A

S

S

A

S

A

V

R

E

G

G

A

A

D

D

V

F

L

L

S

Y

T

T

D

D

V

V

W

W

V
x
Y

-
x
G

-
x
L

-
x
Y

-

E

-

A

S

E

M

L

G

S

E

E

D

E

P

E

A

R

K

M

R

K

S

V

A

F

F

Y

E

P

G

K

W

Y

A

Q

L

V

T

N

E

Q

A

E

L

M

V

M

A

D

E

R

A

A

S

G

D

A

E

N

V

C

G

K

I

F

L

M

H

H

C

C

L

L

P

P

A

A

H

T

R

R

G

G

E

E

I

V

E

T

A

D

S

E

V

V

L

I

D

D

G

G

P

K

H

N

S

S

W

I

A

C

F

F

R

D

Q

E

A

A

G

E

H

N

R

R

V

L

T

T

A

S

M

I

V

R

R

G

L

L

A

V

F

Y

L

L

V

M

D

N

R54 (= R49) mutation to G: Loss of activity with putrescine and ornithine.
YGLY 230:233 (≠ V--- 229) mutation to VSMG: Loss of activity with putrescine; increased activity with ornithine.

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7nouA

query
sites
7nouA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V
x
I

F

F

E

D

H

K

P

N

S

S

M
x
T

R
|
R

T

T

R

R

S
x
F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I

T

G

Q

I
x
L

D

G

T

R

R
x
D

E
|
E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V
|
V

L

L

A

S

R

R

H
x
Y

H

-

R

-

V

-

V

V

G

D

A

A

R

I

L

V

R

W

R
|
R

H

T

A

F

T

G

F

Q

E

E

R

R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P

P

T

C

Q
|
Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

R

L

K

G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

V

K

R

A

L

L

A

V

F

W

L

L

V

L

D

E

R

R

A

S

active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (≠ V42), T52 (≠ M48), R53 (= R49), R53 (= R49), F56 (≠ S52), F56 (≠ S52), L79 (≠ I75), D82 (≠ R78), E83 (= E79), V91 (= V87), Y95 (≠ H91), L266 (= L264), R293 (= R291)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7nosA

query
sites
7nosA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V
x
I

F

F

E

D

H

K

P

N

S

S

M

T

R

R

T

T

R

R

S

F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I

T

G

Q

I

L

D

G

T

R

R
x
D

E
|
E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V
|
V

L
|
L

A

S

R

R

H

Y

H

-

R

-

V

-

V

V

G

D

A

A

R

I

L

V

R

W

R
|
R

H

T

A

F

T

G

F

Q

E

E

R

R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P

P

T

C

Q
|
Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

R

L

K

G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

V

K

R

A

L

L

A

V

F

W

L

L

V

L

D

E

R

R

A

S

active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (≠ V42), D82 (≠ R78), E83 (= E79), V91 (= V87), L92 (= L88)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7norA

query
sites
7norA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V

I

F

F

E

D

H

K

P

N

S

S

M
x
T

R

R

T

T

R

R

S
x
F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I
x
T

G

Q

I
x
L

D

G

T

R

R

D

E

E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V

V

L

L

A

S

R

R

H

Y

H

-

R

-

V

-

V

V

G

D

A

A

R

I

L

V

R

W

R
|
R

H

T

A

F

T

G

F

Q

E

E

R

R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P

P

T

C

Q
|
Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

R

L

K

G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

V

K

R

A

L

L

A

V

F

W

L

L

V

L

D

E

R

R

A

S

active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (≠ M48), F56 (≠ S52), T77 (≠ I73), L79 (≠ I75)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7nnyA

query
sites
7nnyA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V

I

F

F

E

D

H

K

P

N

S

S

M
x
T

R
|
R

T

T

R

R

S
x
F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I

T

G

Q

I

L

D

G

T

R

R

D

E
|
E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V
|
V

L

L

A

S

R

R

H
x
Y

H

-

R

-

V

-

V

V

G

D

A

A

R

I

L

V

R

W

R
|
R

H

T

A

F

T

G

F

Q

E

E

R

R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P

P

T

C

Q
|
Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

R

L

K

G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

V

K

R

A

L

L

A

V

F

W

L

L

V

L

D

E

R

R

A

S

active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding 1-naphthol: T52 (≠ M48), R53 (= R49), F56 (≠ S52), E83 (= E79), V91 (= V87), Y95 (≠ H91)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7nnwA

query
sites
7nnwA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V
x
I

F

F

E

D

H

K

P

N

S

S

M
x
T

R
|
R

T

T

R

R

S
x
F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I

T

G

Q

I
x
L

D

G

T

R

R

D

E

E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V

V

L
|
L

A

S

R

R

H
x
Y

H

-

R

-

V

-

V

V

G

D

A

A

R

I

L

V

R

W

R
|
R

H

T

A

F

T

G

F

Q

E

E

R

R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P

P

T

C

Q
|
Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

R

L

K

G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

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K

R

A

L

L

A

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F

W

L

L

V

L

D

E

R

R

A

S

active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding methyl 3-iodanyl-4-oxidanyl-benzoate: I46 (≠ V42), T52 (≠ M48), R53 (= R49), F56 (≠ S52), L79 (≠ I75), L92 (= L88), Y95 (≠ H91)

7nnvA Crystal structure of mycobacterium tuberculosis argf in complex with carbamoyl phosphate.
35% identity, 94% coverage: 13:306/314 of query aligns to 10:308/308 of 7nnvA

query
sites
7nnvA

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

V

L

T

E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V

I

F

F

E

D

H

K

P

N

S
|
S

M
x
T

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R

T
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T

R

R

S

F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

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L

L

G

G

A

G

T

H

P

A

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V

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V

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D

G

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D

G

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S

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I

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D

G

T

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R

D

E

E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V

V

L

L

A

S

R

R

H

Y

H

-

R

-

V

-

V

V

G

D

A

A

R

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R

H

T

A

F

T

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F

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E

E

R

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M

L

A

D

P

A

R

M

F

A

A

S

G

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H

A

Q

T

R

V

P

P

F

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I

N

N

L

A

L

L

T

S

D

D

R

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A

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H
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H

P

P

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C

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Q

A

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A

A

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D

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L

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T

I

I

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A

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E

A

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G

T

A

L

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G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

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V

T

T

D
|
D

V

T

W

W

V

T

S

S

M

M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

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S

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A

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W

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D

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E

A

A

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active site: R102 (= R101), H129 (= H128), Q132 (= Q131), D225 (= D226), C265 (= C263), R293 (= R291)
binding phosphoric acid mono(formamide)ester: S51 (= S47), T52 (≠ M48), R53 (= R49), T54 (= T50), R102 (= R101), H129 (= H128), C265 (= C263), L266 (= L264), R293 (= R291)

2i6uA Crystal structure of ornithine carbamoyltransferase complexed with carbamoyl phosphate and l-norvaline from mycobacterium tuberculosis (rv1656) at 2.2 a (see paper)
35% identity, 94% coverage: 13:306/314 of query aligns to 9:307/307 of 2i6uA

query
sites
2i6uA

D

D

L

L

A

S

P

P

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A

D

E

M

Q

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A

R

E

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L

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-

E

-

L

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-

D

-

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A

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G

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-

G

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F

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S

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x
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x
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A

A

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N

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H

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L

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L

A

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P

A

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G

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S

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-

M

-

A

-

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-

I

V

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R

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A

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A

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A

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E

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A

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R

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A

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R

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G

G

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I

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A

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D

D

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D

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W

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S

M
|
M

G

G

E

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N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

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F

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R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

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K

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A

L

L

A

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W

L

L

V

L

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E

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R

A

S

active site: R52 (= R49), T53 (= T50), R80 (≠ T77), R101 (= R101), H128 (= H128), Q131 (= Q131), D224 (= D226), C264 (= C263), R292 (= R291)
binding phosphoric acid mono(formamide)ester: S50 (= S47), T51 (≠ M48), R52 (= R49), T53 (= T50), R101 (= R101), C264 (= C263), L265 (= L264), R292 (= R291)
binding norvaline: L123 (= L123), N160 (= N159), D224 (= D226), S228 (= S230), M229 (= M231)

P9WIT9 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
35% identity, 94% coverage: 13:306/314 of query aligns to 9:307/307 of P9WIT9

query
sites
P9WIT9

D

D

L

L

A

S

P

P

E

A

D

E

M

Q

R

A

R

E

L

V

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E

E

L

A

A

V

A

-

E

-

L

-

K

-

D

-

P

A

V

A

S

S

R

G

R

P

P

L

L

R

Q

G

G

G

P

T

R

-

G

I

V

A

A

G

V

V

I

F

F

E

D

H

K

P

N

S
|
S

M
x
T

R
|
R

T
|
T

R

R

S

F

A

S

L

F

G

E

V

L

A

G

A

I

A

A

A

Q

L

L

G

G

A

G

T

H

P

A

V

V

F

V

T

D

G

S

D

G

E

S

I

T

G
x
Q

I

L

D

G

T

R

R

D

E

E

A

T

A

L

E

Q

D

D

V

T

A

A

E

K

V

V

L

L

A

S

R

R

H

Y

H

-

R

-

V

-

V

V

G

D

A

A

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I

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|
R

H

T

A

F

T

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E

E

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R

M

L

A

D

P

A

R

M

F

A

A

S

G

V

H

A

Q

T

R

V

P

P

F

V

V

I

N

N

L

A

L

L

T

S

D

D

R

E

A

F

H
|
H

P
|
P

T
x
C

Q
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Q

A

V

I

L

A

A

D

D

V

L

I

Q

T

T

I

I

H

A

E

E

A

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L

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G

G

T

A

L

L

E

R

G

G

V

L

R

R

I

L

A

S

W

Y

I

F

G

G

D

D

-

G

A

A

N

N

N
|
N

V

M

A

A

R

H

S

S

L

L

A

L

K

L

A

G

G

V

A

T

L

A

G

G

A

I

E

H

V

V

R

T

I

V

A

A

P

P

A

E

G

G

F

F

Q

L

F

P

S

D

E

P

A

S

D

-

M

-

A

-

E

-

I

V

D

R

A

A

Y

A

L

A

E

E

R

R

A

R

G

A

R

Q

A

D

R

T

G

G

A

A

-

S

I

V

A

T

L

V

F

T

D

A

S

D

P

A

T

H

S

A

A

A

R

A

G

G

A

A

D

D

V

V

L

L

S

V

T

T

D
|
D

V

T

W

W

V

T

S
|
S

M
|
M

G

G

E

Q

D

E

P

N

A

D

-

G

-

L

-

D

K

R

R

V

S

K

A

P

F

F

E

R

G

P

W

F

A

Q

L

L

T

N

E

S

A

R

L

L

V

L

A

A

E

L

A

A

S

D

D

S

E

D

V

A

G

I

I

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

I

I

E

T

A

D

S

A

V

V

L

M

D

D

G

G

P

P

H

A

S

S

W

A

A

V

F

W

R

D

Q

E

A

A

G

E

H

N

R
|
R

V

L

T

H

A

A

M

Q

V

K

R

A

L

L

A

V

F

W

L

L

V

L

D

E

R

R

A

S

STRT 50:53 (≠ SMRT 47:50) binding carbamoyl phosphate
Q77 (≠ G74) binding carbamoyl phosphate
R101 (= R101) binding carbamoyl phosphate
HPCQ 128:131 (≠ HPTQ 128:131) binding carbamoyl phosphate
N160 (= N159) binding L-ornithine
D224 (= D226) binding L-ornithine
SM 228:229 (= SM 230:231) binding L-ornithine
CL 264:265 (= CL 263:264) binding carbamoyl phosphate
R292 (= R291) binding carbamoyl phosphate

Query Sequence

>WP_015799056.1 NCBI__GCF_000023265.1:WP_015799056.1
MERATSLVVGDVDDLAPEDMRRLVTEAVAASGPLRGGTIAGVFEHPSMRTRSALGVAAAA
LGATPVFFTGDEIGIDTREAAEDVAEVLARHHRVVGARLRRHATFERMAPRFAGHQRPFV
NLLTDRAHPTQAIADVITIHEALGTLEGVRIAWIGDANNVARSLAKAAGALGAEVRIAAP
AGFQFSEADMAEIDAYLERAGRARGAIALFDSPTSAARGADVLSTDVWVSMGEDPAKRSA
FEGWALTEALVAEASDEVGILHCLPAHRGEEIEASVLDGPHSWAFRQAGHRVTAMVRLLA
FLVDRAGSGSIERW

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