SitesBLAST

M1 (= M1) modified: Initiator methionine, Removed
W22 (≠ E22) mutation to A: Decreased heat stability.
E26 (≠ D26) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ E30) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (≠ R34) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (≠ V228) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (≠ S241) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E278) mutation to G: Becomes active at low temperatures; when associated with C-228 or D-241.

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
55% identity, 97% coverage: 8:310/311 of query aligns to 12:309/316 of Q81M99

query
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Q81M99

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STRT 57:60 (= STRT 57:60) binding carbamoyl phosphate
Q84 (= Q84) binding carbamoyl phosphate
R108 (= R108) binding carbamoyl phosphate
HPCQ 135:138 (= HPCQ 135:138) binding carbamoyl phosphate
N166 (= N166) binding L-ornithine
D230 (= D230) binding L-ornithine
SM 234:235 (= SM 234:235) binding L-ornithine
CL 269:270 (= CL 270:271) binding carbamoyl phosphate
R297 (= R298) binding carbamoyl phosphate

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
55% identity, 97% coverage: 8:310/311 of query aligns to 8:305/307 of 4nf2A

query
sites
4nf2A

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active site: R55 (= R59), T56 (= T60), R83 (= R87), R104 (= R108), H131 (= H135), Q134 (= Q138), D226 (= D230), C265 (= C270), R293 (= R298)
binding phosphoric acid mono(formamide)ester: S53 (= S57), T54 (= T58), R55 (= R59), T56 (= T60), R104 (= R108), H131 (= H135), Q134 (= Q138), C265 (= C270), L266 (= L271), R293 (= R298)
binding norvaline: L126 (= L130), N162 (= N166), D226 (= D230), S230 (= S234), M231 (= M235)

P00480 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Homo sapiens (Human) (see 31 papers)
49% identity, 98% coverage: 6:310/311 of query aligns to 38:342/354 of P00480

query
sites
P00480

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G39 (= G7) to C: in OTCD; late onset; dbSNP:rs72554306
R40 (= R8) to H: in OTCD; late onset; dbSNP:rs72554308
L43 (= L11) to F: in dbSNP:rs72554309
K46 (≠ N14) to R: in dbSNP:rs1800321
Y55 (≠ E23) to D: in OTCD; late onset; dbSNP:rs72554319
L63 (= L31) to P: in OTCD; late onset; dbSNP:rs72554324
K88 (= K55) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (= STRT 57:60) binding carbamoyl phosphate
G100 (= G67) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M68) to L: in dbSNP:rs1133135
L111 (≠ I78) to P: in dbSNP:rs1800324
T125 (≠ A92) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D93) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (= R96) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (≠ I107) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R108) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H135) binding carbamoyl phosphate
Q171 (= Q138) binding carbamoyl phosphate
I172 (= I139) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ L143) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (≠ TI 145:146) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ K150) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G155) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G162) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D163) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (≠ C168) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ G174) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (= A176) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (= M180) to K: in OTCD; late onset
H214 (≠ E181) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P187) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (= P192) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (= L211) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T229) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V231) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W232) to L: in OTCD; mild; dbSNP:rs72558446
G269 (= G236) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (= Q237) to R: in dbSNP:rs1800328
E272 (≠ A239) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (= R244) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H269) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C270) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 270:271) binding carbamoyl phosphate
E309 (= E277) natural variant: Missing (in OTCD; late onset)
R330 (= R298) binding carbamoyl phosphate
T333 (≠ A301) natural variant: T -> A
S340 (≠ L308) 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.
343 T → K: in OTCD; late onset; dbSNP:rs72558491

1othA Crystal structure of human ornithine transcarbamoylase complexed with n-phosphonacetyl-l-ornithine (see paper)
49% identity, 98% coverage: 6:310/311 of query aligns to 5:309/321 of 1othA

query
sites
1othA

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M

M

I

I

F

F

S

E

K

K

N

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

V

T

G

G

M

F

V

A

Q

L

L

L

G

G

Y

H

P

P

L

C

F

F

I

L

T

T

A

T

T

Q

D

D

S

I

Q

H

L

L

S

G

R
x
V

G

N

E

E

P

S

I

L

A

T

D

D

T

T

A

A

R

R

V

V

L

L

S

S

R

S

M

M

V

A

D

D

G

A

I

V

M

L

I

A

R
|
R

T

V

Y

Y

S

K

H

Q

S

S

E

D

V

L

E

D

E

T

L

L

A

A

Y

K

Y

E

A

A

D

S

V

I

P

P

V

I

I

I

N

N

G

G

L
|
L

T

S

D

D

Y

L

E

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

M

L

A

A

D

D

L

Y

L

L

T

T

I

L

K

Q

E

E

H

H

K

Y

G

S

Q

S

L

L

R

K

G

G

L

L

K

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

N
|
N

V

I

C

L

H

H

S

S

L

I

M

M

I

M

G

S

A

A

K

K

V

F

G

G

M

M

E

H

V

L

A

Q

V

A

A

A

T

T

P

P

P

K

G

G

Y

Y

E

E

P

P

D

D

Q

A

K

S

V

V

S

T

L

K

I

L

A

A

Q

E

K

Q

E

Y

T

A

S

K

R

E

W

N

G

G

T

T

K

K

L

L

T

T

H

N

N

D

P

P

V

L

E

E

A

A

V

A

T

H

G

G

A

G

D

N

V

V

V

L

V

I

T

T

D
|
D

V

T

W

W

A

I

S
|
S

M
|
M

G

G

Q

R

E

E

A

E

E

E

S

K

A

K

E

K

R

R

V

L

K

Q

V

A

F

F

E

Q

P

G

Y

Y

Q

Q

V

V

N

T

G

M

E

K

L

T

V

A

S

K

H

V

A

A

K

A

Q

S

D

D

F

W

I

T

F

F

L

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

A

D

E

E

V

V

I

F

D

Y

G

S

E

P

H

R

S

S

V

L

V

V

F

F

A

P

E

E

A

A

E

E

N

N

R
|
R

L

K

H

W

A

T

Q

I

K

M

A

A

I

V

L

M

T

V

L

S

L

L

active site: R59 (= R59), T60 (= T60), V87 (≠ R87), R108 (= R108), H135 (= H135), Q138 (= Q138), D230 (= D230), C270 (= C270), R297 (= R298)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S57), T58 (= T58), R59 (= R59), T60 (= T60), R108 (= R108), L130 (= L130), H135 (= H135), N166 (= N166), D230 (= D230), S234 (= S234), M235 (= M235), C270 (= C270), L271 (= L271), R297 (= R298)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
49% identity, 98% coverage: 6:310/311 of query aligns to 5:309/321 of 1c9yA

query
sites
1c9yA

R

K

G

G

R

R

D

D

F

L

L

L

S

T

M

L

N

K

D

N

L

F

T

T

G

G

E

E

I

I

E

K

E

Y

V

M

L

L

D

W

L

L

A

S

S

A

E

D

L

L

K

K

L

F

R

R

-

I

Q

K

K

Q

K

K

G

G

I

E

S

Y

T

L

P

P

I

L

L

L

K

Q

G

G

K

K

T

S

L

L

A

G

M

M

I

I

F

F

S

E

K

K

N

R

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

L

S

S

F

T

E

E

V

T

G

G

M

F

V

A

Q

L

L

L

G

G

Y

H

P

P

L

C

F

F

I

L

T

T

A

T

T

Q

D

D

S

I

Q

H

L

L

S

G

R
x
V

G

N

E

E

P

S

I

L

A

T

D

D

T

T

A

A

R

R

V

V

L

L

S

S

R

S

M

M

V

A

D

D

G

A

I

V

M

L

I

A

R
|
R

T

V

Y

Y

S

K

H

Q

S

S

E

D

V

L

E

D

E

T

L

L

A

A

Y

K

Y

E

A

A

D

S

V

I

P

P

V

I

I

I

N

N

G

G

L
|
L

T

S

D

D

Y

L

E

Y

H
|
H

P

P

C

I

Q
|
Q

I

I

M

L

A

A

D

D

L

Y

L

L

T

T

I

L

K

Q

E

E

H

H

K

Y

G

S

Q

S

L

L

R

K

G

G

L

L

K

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

N
|
N

V

I

C

L

H

H

S

S

L

I

M

M

I

M

G

S

A

A

K

K

V

F

G

G

M

M

E

H

V

L

A

Q

V

A

A

A

T

T

P

P

P

K

G

G

Y

Y

E

E

P

P

D

D

Q

A

K

S

V

V

S

T

L

K

I

L

A

A

Q

E

K

Q

E

Y

T

A

S

K

R

E

W

N

G

G

T

T

K

K

L

L

T

T

H

N

N

D

P

P

V

L

E

E

A

A

V

A

T

H

G

G

A

G

D

N

V

V

V

L

V

I

T

T

D
|
D

V

T

W

W

A

I

S
|
S

M
|
M

G

G

Q

R

E

E

A

E

E

E

S

K

A

K

E

K

R

R

V

L

K

Q

V

A

F

F

E

Q

P

G

Y

Y

Q

Q

V

V

N

T

G

M

E

K

L

T

V

A

S

K

H

V

A

A

K

A

Q

S

D

D

F

W

I

T

F

F

L

L

H

H

C
|
C

L
|
L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

A

D

E

E

V

V

I

F

D

Y

G

S

E

P

H

R

S

S

V

L

V

V

F

F

A

P

E

E

A

A

E

E

N

N

R
|
R

L

K

H

W

A

T

Q

I

K

M

A

A

I

V

L

M

T

V

L

S

L

L

active site: R59 (= R59), T60 (= T60), V87 (≠ R87), R108 (= R108), H135 (= H135), Q138 (= Q138), D230 (= D230), C270 (= C270), R297 (= R298)
binding phosphoric acid mono(formamide)ester: S57 (= S57), T58 (= T58), R59 (= R59), T60 (= T60), R108 (= R108), C270 (= C270), L271 (= L271), R297 (= R298)
binding norvaline: L130 (= L130), N166 (= N166), D230 (= D230), S234 (= S234), M235 (= M235)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
48% identity, 98% coverage: 6:310/311 of query aligns to 38:342/354 of P00481

query
sites
P00481

R

K

G

G

R

R

D

D

F

L

L

L

S

T

M

L

N

K

D

N

L

F

T

T

G

G

E

E

I

I

E

Q

E

Y

V

M

L

L

D

W

L

L

A

S

S

A

E

D

L

L

K

K

L

F

R

R

-

I

Q

K

K

Q

K

K

G

G

I

E

S

Y

T

L

P

P

I

L

L

L

K

Q

G

G

K

K

T

S

L

L

A

G

M

M

I

I

F

F

S

E

K

K

N

R

S

S

T

T

R
|
R

T

T

R

R

V

L

S

S

F

T

E

E

V

T

G

G

M

F

V

A

Q

L

L

L

G

G

Y

H

P

P

L

S

F

F

I

L

T

T

A

T

T

Q

D

D

S

I

Q

H

L

L

S

G

R

V

G

N

E

E

P

S

I

L

A

T

D

D

T

T

A

A

R

R

V

V

L

L

S

S

R

S

M

M

V

T

D

D

G

A

I

V

M

L

I

A

R

R

T

V

Y

Y

S

K

H

Q

S

S

E

D

V

L

E

D

E

I

L

L

A

A

Y

K

Y

E

A

A

D

T

V

I

P

P

V

I

I

V

N

N

G

G

L

L

T

S

D

D

Y

L

E

Y

H

H

P

P

C

I

Q

Q

I

I

M

L

A

A

D

D

L

Y

L

L

T

T

I

L

K

Q

E

E

H

H

K

Y

G

G

Q

S

L

L

R

K

G

G

L

L

K

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

V

I

C

L

H

H

S

S

L

I

M

M

I

M

G

S

A

A

K

K

V

F

G

G

M

M

E

H

V

L

A

Q

V

A

A

A

T

T

P

P

P

K

G

G

Y

Y

E

E

P

P

D

D

Q

P

K

N

V

I

S

V

L

K

I

L

A

A

Q

E

K

Q

E

Y

T

A

S

K

R

E

W

N

G

G

T

T

K

R

L

L

L

S

L

M

T

T

H

N

N

D

P

P

V

L

E

E

A

A

V

A

T

R

G

G

A

G

D

N

V

V

V

L

V

I

T

T

D

D

V

T

W

W

A

I

S

S

M

M

G

G

Q

Q

E

E

A

D

E

E

S

K

A

K

E

K

R

R

V

L

K

Q

V

A

F

F

E

Q

P

G

Y

Y

Q

Q

V

V

N

T

G

M

E

K

L

T

V

A

S

K

H

V

A

A

K

A

Q

S

D

D

F

W

I

T

F

F

L

L

H

H

C
|
C

L

L

P

P

A

-

H

R

R

K

G

P

E

E

V

V

T

D

A

D

E

E

V

V

I

F

D

Y

G

S

E

P

H

R

S

S

V

L

V

V

F

F

A

P

E

E

A

A

E

E

N

N

R

R

L

K

H

W

A

T

Q

I

K

M

A

A

I

V

L

M

T

V

L

S

L

L

R92 (= R59) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C270) 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

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
49% identity, 98% coverage: 8:311/311 of query aligns to 2:303/304 of 8qeuA

query
sites
8qeuA

R

K

D

D

F

F

L

L

S

A

M

I

N

D

D

D

L

F

T

D

G

T

E

A

E

T

I

I

E

K

E

T

V

I

L

L

D

D

L

K

A

A

S

S

E

E

L

V

K

K

L

A

R

L

Q

L

K

K

K

S

G

G

I

E

S

R

T

N

P

Y

I

L

-

P

L

F

K

K

G

G

K

K

T

S

L

M

A

S

M

M

I

I

F

F

S

A

K

K

N

P

S

S

T

M

R

R

T

T

R

R

V

V

S

S

F

F

E

E

V

T

G

G

M

F

V

F

Q

L

L

L

G

G

Y

H

P

A

L

L

F

Y

I

L

T

G

A

P

T

N

D

D

S

I

Q

Q

L

M

S

G

R

K

G

R

E

E

P

E

I

T

A

R

D

D

T

V

A

A

R

R

V

V

L

L

S

S

R

R

M

Y

V

N

D

D

G

I

I

I

M

M

I

A

R

R

T

V

Y

F

S

A

H

H

S

Q

E

D

V

I

E

L

E

D

L

L

A

A

Y

N

Y

Y

A

S

D

S

V

V

P

P

V

V

I

V

N

N

G

G

L
|
L

T

T

D

D

Y

H

E

N

H

H

P

P

C

C

Q

Q

I

I

M

M

A

A

D

D

L

A

L

L

T

T

I

M

K

I

E

E

H

H

K

I

G

G

Q

Q

L

V

R

E

G

G

L

T

K

K

V

V

A

V

W

Y

V

V

G

G

D

D

G

G

N

N

N
|
N

V

M

C

V

H

H

S

S

L

W

M

L

I

E

G

L

A

A

A

S

K

V

V

I

G

P

M

F

E

H

V

F

A

V

V

C

A

A

T

C

P

P

P

K

G

G

Y

Y

E

E

P

P

D

D

-

K

Q

E

K

R

V

V

S

S

L

K

I

A

A

K

Q

Q

K

A

E

G

T

L

S

S

R

-

W

-

G

-

T

-

K

K

L

I

L

E

L

I

T

T

H

N

N

D

P

P

V

K

E

E

A

A

V

V

T

I

G

G

A

A

D

D

V

V

V

Y

T

S

D
|
D

V

V

W

W

A

A

S
|
S

M
|
M

G

G

Q

Q

E

K

A

D

E

E

S

A

A

E

E

A

R

R

V

R

K

K

V

A

F

F

E

Q

P

G

Y

F

Q

Q

V

V

N

D

G

E

E

A

L

L

V

M

S

K

H

L

A

A

K

G

Q

Q

D

K

F

A

I

Y

F

F

L

M

H

H

C

C

L
|
L

P

P

A

A

H

E

R

R

G

G

E

V

E

E

V

V

T

T

A

N

E

G

V

V

I

V

D

E

G

A

E

P

H

Y

S

S

V

I

V

V

F

F

A

P

E

Q

A

A

E

E

N

N

R

R

L

M

H

H

A

A

Q

Q

K

N

A

A

I

I

L

M

T

L

L

H

L

L

G

G

binding L-ornithine: L125 (= L130), N161 (= N166), D222 (= D230), S226 (= S234), M227 (= M235), L263 (= L271)

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7nouA

query
sites
7nouA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

T

S

G

P

E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I
|
I

F

F

S

D

K

K

N

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

Q

Q

L

L

G

G

Y

H

P

A

L

V

F

V

I

V

T

D

A

S

T

G

D

S

S

T

Q

Q

L
|
L

S

G

R

R

G
x
D

E
|
E

P

T

I

L

A

Q

D

D

T

T

A

A

R

K

V
|
V

L

L

S

S

R

R

M
x
Y

V

V

D

D

G

A

I

I

M

V

I

W

R
|
R

T

T

Y

F

S

G

H

Q

S

E

E

R

V

L

E

D

E

A

L

M

A

A

Y

S

Y

V

A

A

D

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

Y

E

E

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

L

L

L

Q

T

T

I

I

K

A

E

E

H

R

K

K

G

G

Q

A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

E

H

V

V

A

T

V

V

A

A

T

A

P

P

P

E

G

G

Y

F

E

L

P

P

D

D

Q

P

K

S

V

V

S

R

L

A

I

A

A

A

Q

E

K

R

E

R

T

A

S

Q

R

D

W

T

G

G

T

A

K

S

L

V

L

T

L

V

T

T

H

A

N

D

P

A

V

H

E

A

A

A

V

A

T

A

G

G

A

A

D

D

V

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

S

G

A

L

E

D

R

R

V

V

K

K

V

P

F

F

E

R

P

P

Y

F

Q

Q

V

L

N

N

G

S

E

R

L

L

V

L

S

A

H

L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

E

A

V

V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

I

L

L

L

T

V

L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (= I52), T52 (= T58), R53 (= R59), R53 (= R59), F56 (≠ V62), F56 (≠ V62), L79 (= L85), D82 (≠ G88), E83 (= E89), V91 (= V97), Y95 (≠ M101), L266 (= L271), R293 (= R298)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7nosA

query
sites
7nosA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

T

S

G

P

E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I
|
I

F

F

S

D

K

K

N

N

S

S

T

T

R

R

T

T

R

R

V

F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

Q

Q

L

L

G

G

Y

H

P

A

L

V

F

V

I

V

T

D

A

S

T

G

D

S

S

T

Q

Q

L

L

S

G

R

R

G
x
D

E
|
E

P

T

I

L

A

Q

D

D

T

T

A

A

R

K

V
|
V

L
|
L

S

S

R

R

M

Y

V

V

D

D

G

A

I

I

M

V

I

W

R
|
R

T

T

Y

F

S

G

H

Q

S

E

E

R

V

L

E

D

E

A

L

M

A

A

Y

S

Y

V

A

A

D

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

Y

E

E

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

L

L

L

Q

T

T

I

I

K

A

E

E

H

R

K

K

G

G

Q

A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

E

H

V

V

A

T

V

V

A

A

T

A

P

P

P

E

G

G

Y

F

E

L

P

P

D

D

Q

P

K

S

V

V

S

R

L

A

I

A

A

A

Q

E

K

R

E

R

T

A

S

Q

R

D

W

T

G

G

T

A

K

S

L

V

L

T

L

V

T

T

H

A

N

D

P

A

V

H

E

A

A

A

V

A

T

A

G

G

A

A

D

D

V

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

S

G

A

L

E

D

R

R

V

V

K

K

V

P

F

F

E

R

P

P

Y

F

Q

Q

V

L

N

N

G

S

E

R

L

L

V

L

S

A

H

L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

E

A

V

V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

I

L

L

L

T

V

L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (= I52), D82 (≠ G88), E83 (= E89), V91 (= V97), L92 (= L98)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7norA

query
sites
7norA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

T

S

G

P

E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I

I

F

F

S

D

K

K

N

N

S

S

T
|
T

R

R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

Q

Q

L

L

G

G

Y

H

P

A

L

V

F

V

I

V

T

D

A

S

T

G

D

S

S
x
T

Q

Q

L
|
L

S

G

R

R

G

D

E

E

P

T

I

L

A

Q

D

D

T

T

A

A

R

K

V

V

L

L

S

S

R

R

M

Y

V

V

D

D

G

A

I

I

M

V

I

W

R
|
R

T

T

Y

F

S

G

H

Q

S

E

E

R

V

L

E

D

E

A

L

M

A

A

Y

S

Y

V

A

A

D

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

Y

E

E

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

L

L

L

Q

T

T

I

I

K

A

E

E

H

R

K

K

G

G

Q

A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

E

H

V

V

A

T

V

V

A

A

T

A

P

P

P

E

G

G

Y

F

E

L

P

P

D

D

Q

P

K

S

V

V

S

R

L

A

I

A

A

A

Q

E

K

R

E

R

T

A

S

Q

R

D

W

T

G

G

T

A

K

S

L

V

L

T

L

V

T

T

H

A

N

D

P

A

V

H

E

A

A

A

V

A

T

A

G

G

A

A

D

D

V

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

S

G

A

L

E

D

R

R

V

V

K

K

V

P

F

F

E

R

P

P

Y

F

Q

Q

V

L

N

N

G

S

E

R

L

L

V

L

S

A

H

L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

E

A

V

V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

I

L

L

L

T

V

L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (= T58), F56 (≠ V62), T77 (≠ S83), L79 (= L85)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7nnyA

query
sites
7nnyA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

T

S

G

P

E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I

I

F

F

S

D

K

K

N

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

Q

Q

L

L

G

G

Y

H

P

A

L

V

F

V

I

V

T

D

A

S

T

G

D

S

S

T

Q

Q

L

L

S

G

R

R

G

D

E
|
E

P

T

I

L

A

Q

D

D

T

T

A

A

R

K

V
|
V

L

L

S

S

R

R

M
x
Y

V

V

D

D

G

A

I

I

M

V

I

W

R
|
R

T

T

Y

F

S

G

H

Q

S

E

E

R

V

L

E

D

E

A

L

M

A

A

Y

S

Y

V

A

A

D

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

Y

E

E

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

L

L

L

Q

T

T

I

I

K

A

E

E

H

R

K

K

G

G

Q

A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

E

H

V

V

A

T

V

V

A

A

T

A

P

P

P

E

G

G

Y

F

E

L

P

P

D

D

Q

P

K

S

V

V

S

R

L

A

I

A

A

A

Q

E

K

R

E

R

T

A

S

Q

R

D

W

T

G

G

T

A

K

S

L

V

L

T

L

V

T

T

H

A

N

D

P

A

V

H

E

A

A

A

V

A

T

A

G

G

A

A

D

D

V

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

S

G

A

L

E

D

R

R

V

V

K

K

V

P

F

F

E

R

P

P

Y

F

Q

Q

V

L

N

N

G

S

E

R

L

L

V

L

S

A

H

L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

E

A

V

V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

I

L

L

L

T

V

L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding 1-naphthol: T52 (= T58), R53 (= R59), F56 (≠ V62), E83 (= E89), V91 (= V97), Y95 (≠ M101)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7nnwA

query
sites
7nnwA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

T

S

G

P

E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I
|
I

F

F

S

D

K

K

N

N

S

S

T
|
T

R
|
R

T

T

R

R

V
x
F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

Q

Q

L

L

G

G

Y

H

P

A

L

V

F

V

I

V

T

D

A

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T

G

D

S

S

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L
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L

S

G

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R

G

D

E

E

P

T

I

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A

Q

D

D

T

T

A

A

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K

V

V

L
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L

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S

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R

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x
Y

V

V

D

D

G

A

I

I

M

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R

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Y

F

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E

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A

L

M

A

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Y

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I

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N

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H

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A

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D

L

L

L

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T

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I

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A

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E

H

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K

K

G

G

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A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

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H

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V

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V

A

A

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A

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P

P

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G

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F

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P

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D

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V

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L

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I

A

A

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A

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G

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V

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L

V

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|
D

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W

W

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S

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M

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G

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Q

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A

L

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R

V

V

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K

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F

F

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P

P

Y

F

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Q

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N

N

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R

L

L

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L

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L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

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H

C
|
C

L

L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

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A

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V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

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E

N

N

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R

L

L

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H

A

A

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A

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I

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L

L

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L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding methyl 3-iodanyl-4-oxidanyl-benzoate: I46 (= I52), T52 (= T58), R53 (= R59), F56 (≠ V62), L79 (= L85), L92 (= L98), Y95 (≠ M101)

7nnvA Crystal structure of mycobacterium tuberculosis argf in complex with carbamoyl phosphate.
50% identity, 97% coverage: 8:310/311 of query aligns to 4:305/308 of 7nnvA

query
sites
7nnvA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L

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S

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E

A

E

E

I

Q

E

A

E

E

V

V

L

L

D

E

L

L

A

A

S

A

E

E

L

L

K

K

L

-

R

-

Q

-

K

K

K

D

G

P

I

V

S

S

T

R

P

R

I

P

L

L

K

Q

G

G

-

P

K

R

T

G

L

V

A

A

M

V

I

I

F

F

S

D

K

K

N

N

S
|
S

T
|
T

R
|
R

T
|
T

R

R

V

F

S

S

F

F

E

E

V

L

G

G

M

I

V

A

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Q

L

L

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G

Y

H

P

A

L

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F

V

I

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D

A

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T

G

D

S

S

T

Q

Q

L

L

S

G

R

R

G

D

E

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P

T

I

L

A

Q

D

D

T

T

A

A

R

K

V

V

L

L

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S

R

R

M

Y

V

V

D

D

G

A

I

I

M

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I

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R
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R

T

T

Y

F

S

G

H

Q

S

E

E

R

V

L

E

D

E

A

L

M

A

A

Y

S

Y

V

A

A

D

T

V

V

P

P

V

V

I

I

N

N

G

A

L

L

T

S

D

D

Y

E

E

F

H
|
H

P

P

C

C

Q
|
Q

I

V

M

L

A

A

D

D

L

L

L

Q

T

T

I

I

K

A

E

E

H

R

K

K

G

G

Q

A

L

L

R

R

G

G

L

L

K

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

C

A

H

H

S

S

L

L

M

L

I

L

G

G

A

G

A

V

K

T

V

A

G

G

M

I

E

H

V

V

A

T

V

V

A

A

T

A

P

P

P

E

G

G

Y

F

E

L

P

P

D

D

Q

P

K

S

V

V

S

R

L

A

I

A

A

A

Q

E

K

R

E

R

T

A

S

Q

R

D

W

T

G

G

T

A

K

S

L

V

L

T

L

V

T

T

H

A

N

D

P

A

V

H

E

A

A

A

V

A

T

A

G

G

A

A

D

D

V

V

V

L

V

V

T

T

D
|
D

V

T

W

W

A

T

S

S

M

M

G

G

Q

Q

E

E

A

N

E

D

S

G

A

L

E

D

R

R

V

V

K

K

V

P

F

F

E

R

P

P

Y

F

Q

Q

V

L

N

N

G

S

E

R

L

L

V

L

S

A

H

L

A

A

K

D

Q

S

D

D

F

A

I

I

F

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

R

R

G

G

E

D

E

E

V

I

T

T

A

D

E

A

V

V

I

M

D

D

G

G

E

P

H

A

S

S

V

A

V

V

F

W

A

D

E

E

A

A

E

E

N

N

R
|
R

L

L

H

H

A

A

Q

Q

K

K

A

A

I

L

L

L

T

V

L

W

L

L

active site: R102 (= R108), H129 (= H135), Q132 (= Q138), D225 (= D230), C265 (= C270), R293 (= R298)
binding phosphoric acid mono(formamide)ester: S51 (= S57), T52 (= T58), R53 (= R59), T54 (= T60), R102 (= R108), H129 (= H135), C265 (= C270), L266 (= L271), R293 (= R298)

2i6uA Crystal structure of ornithine carbamoyltransferase complexed with carbamoyl phosphate and l-norvaline from mycobacterium tuberculosis (rv1656) at 2.2 a (see paper)
50% identity, 97% coverage: 8:310/311 of query aligns to 3:304/307 of 2i6uA

query
sites
2i6uA

R

R

D

H

F

F

L

L

S

R

M

D

N

D

D

D

L

L