SitesBLAST

W22 (≠ K24) mutation to A: Decreased heat stability.
E26 (≠ D28) mutation to Q: Increased dissociation of dodecamers into trimers.
M30 (≠ A32) mutation to A: Increased dissociation of dodecamers into trimers.
W34 (≠ E36) mutation to A: Increased dissociation of dodecamers into trimers.
Y228 (= Y218) mutation to C: Becomes active at low temperatures; when associated with G-278.
A241 (≠ R231) mutation to D: Becomes active at low temperatures; when associated with G-278.
E278 (= E268) mutation to G: Becomes active at low temperatures; when associated with C-228 or D-241.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

8qeuA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with ornithine (see paper)
43% identity, 97% coverage: 10:300/301 of query aligns to 2:302/304 of 8qeuA

query
sites
8qeuA

K

K

D

D

L

F

L

L

D

A

F

I

S

D

G

D

Y

F

T

D

K

T

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A

A

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I

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D

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A

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V

K

K

R

A

E

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Y

K

R

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G

G

E

E

-

R

-

N

-

Y

-

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G

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L

binding L-ornithine: L125 (= L129), N161 (= N165), D222 (= D220), S226 (= S224), M227 (= M225), L263 (= L261)

Q81M99 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Bacillus anthracis
46% identity, 97% coverage: 10:301/301 of query aligns to 12:310/316 of Q81M99

query
sites
Q81M99

K

K

D

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K

STRT 57:60 (≠ SLRT 56:59) binding carbamoyl phosphate
Q84 (≠ G83) binding carbamoyl phosphate
R108 (= R107) binding carbamoyl phosphate
HPCQ 135:138 (≠ HPLQ 134:137) binding carbamoyl phosphate
N166 (= N165) binding L-ornithine
D230 (= D220) binding L-ornithine
SM 234:235 (= SM 224:225) binding L-ornithine
CL 269:270 (= CL 260:261) binding carbamoyl phosphate
R297 (= R288) binding carbamoyl phosphate

4nf2A Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis in complex with carbamoyl phosphate and l- norvaline
45% identity, 97% coverage: 10:301/301 of query aligns to 8:306/307 of 4nf2A

query
sites
4nf2A

K

K

D

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x
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L

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N

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H

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D

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K

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L

A

A

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Y

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D

G

G

N

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N

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C

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A

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N

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K

A

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K

active site: R55 (= R58), T56 (= T59), R83 (≠ E86), R104 (= R107), H131 (= H134), Q134 (= Q137), D226 (= D220), C265 (= C260), R293 (= R288)
binding phosphoric acid mono(formamide)ester: S53 (= S56), T54 (≠ L57), R55 (= R58), T56 (= T59), R104 (= R107), H131 (= H134), Q134 (= Q137), C265 (= C260), L266 (= L261), R293 (= R288)
binding norvaline: L126 (= L129), N162 (= N165), D226 (= D220), S230 (= S224), M231 (= M225)

8qevA Crystal structure of ornithine transcarbamylase from arabidopsis thaliana (atotc) in complex with carbamoyl phosphate (see paper)
42% identity, 97% coverage: 10:300/301 of query aligns to 2:295/297 of 8qevA

query
sites
8qevA

K

K

D

D

L

F

L

L

D

A

F

I

S

D

G

D

Y

F

T

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D

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A

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K

K

R

A

E

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Y

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G

G

E

E

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R

-

N

-

Y

-

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K

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G

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M

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N

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K

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L

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Y

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A

A

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R

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A

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N

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M

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L

L

binding phosphoric acid mono(formamide)ester: S52 (= S56), M53 (≠ L57), R54 (= R58), T55 (= T59), R103 (= R107), C255 (= C260), L256 (= L261), R283 (= R288)

P00480 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Homo sapiens (Human) (see 31 papers)
42% identity, 97% coverage: 10:300/301 of query aligns to 40:342/354 of P00480

query
sites
P00480

K
x
R

D

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L

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x
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F

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Q

R

K

G

G

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Y

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-

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L

R40 (≠ K10) to H: in OTCD; late onset; dbSNP:rs72554308
L43 (= L13) to F: in dbSNP:rs72554309
K46 (≠ S16) to R: in dbSNP:rs1800321
Y55 (≠ R25) to D: in OTCD; late onset; dbSNP:rs72554319
L63 (= L33) to P: in OTCD; late onset; dbSNP:rs72554324
K88 (= K54) modified: N6-acetyllysine; alternate; to N: in OTCD; late onset; dbSNP:rs72554339
STRT 90:93 (≠ SLRT 56:59) binding carbamoyl phosphate
G100 (≠ A66) to D: in OTCD; late onset; dbSNP:rs72554349
F101 (≠ M67) to L: in dbSNP:rs1133135
L111 (= L77) to P: in dbSNP:rs1800324
T125 (≠ R91) to M: in OTCD; neonatal; dbSNP:rs72554356
D126 (= D92) to G: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; 0.9% of wild-type activity; dbSNP:rs72554358
R129 (≠ K95) to H: in OTCD; early onset; decreased ornithine carbamoyltransferase activity; 2.1% of wild-type activity; dbSNP:rs66656800
A140 (= A106) to P: in OTCD; late onset; dbSNP:rs72556260
R141 (= R107) binding carbamoyl phosphate; to Q: in OTCD; most common variant; loss of ornithine carbamoyltransferase activity; activity is 100-fold lower; dbSNP:rs68026851
H168 (= H134) binding carbamoyl phosphate
Q171 (= Q137) binding carbamoyl phosphate
I172 (≠ A138) to M: in OTCD; early onset; loss of ornithine carbamoyltransferase activity; dbSNP:rs72556280
Y176 (≠ L142) to C: in OTCD; late onset; dbSNP:rs72556283
TL 178:179 (= TL 144:145) natural variant: Missing (in OTCD; neonatal)
Y183 (≠ F149) to D: in OTCD; late onset; dbSNP:rs72556292
G188 (= G154) to R: in OTCD; neonatal; dbSNP:rs72556294
G195 (= G161) to R: in OTCD; loss of ornithine carbamoyltransferase activity; dbSNP:rs67294955
D196 (= D162) to V: in OTCD; neonatal; decreased ornithine carbamoyltransferase activity; 3.7% activity; dbSNP:rs72556300
L201 (= L167) to P: in OTCD; neonatal; dbSNP:rs72558407
S207 (≠ V173) to R: in OTCD; neonatal; dbSNP:rs72558415
A209 (≠ P175) to V: in OTCD; neonatal; dbSNP:rs72558417
M213 (≠ L179) to K: in OTCD; late onset
H214 (≠ K180) to Y: in OTCD; neonatal; dbSNP:rs72558420
P220 (= P186) to A: in OTCD; late onset; dbSNP:rs72558425
P225 (= P191) to T: in OTCD; late onset; dbSNP:rs72558428
L244 (vs. gap) to Q: in OTCD; late onset; dbSNP:rs72558436
T262 (= T219) to K: in OTCD; mild; dbSNP:rs67333670
T264 (≠ V221) to A: in OTCD; late onset; decreased ornithine carbamoyltransferase activity; 8.9% activity; dbSNP:rs72558444; to I: in OTCD; late onset; dbSNP:rs67156896
W265 (= W222) to L: in OTCD; mild; dbSNP:rs72558446
G269 (= G226) to E: in OTCD; neonatal; dbSNP:rs72558450
Q270 (= Q227) to R: in dbSNP:rs1800328
E272 (≠ A229) natural variant: Missing (in OTCD; late onset; dbSNP:rs72558452)
R277 (= R234) to Q: in OTCD; late onset; dbSNP:rs66724222; to W: in OTCD; late onset; dbSNP:rs72558454
H302 (= H259) to L: in OTCD; female; late onset; dbSNP:rs67993095; to Y: in OTCD; neonatal; dbSNP:rs72558463
C303 (= C260) to R: in OTCD; neonatal; dbSNP:rs67468335
CL 303:304 (= CL 260:261) binding carbamoyl phosphate
E309 (= E267) natural variant: Missing (in OTCD; late onset)
R330 (= R288) binding carbamoyl phosphate
T333 (= T291) natural variant: T -> A
S340 (≠ T298) 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)
42% identity, 97% coverage: 10:300/301 of query aligns to 7:309/321 of 1othA

query
sites
1othA

K

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active site: R59 (= R58), T60 (= T59), V87 (≠ E86), R108 (= R107), H135 (= H134), Q138 (= Q137), D230 (= D220), C270 (= C260), R297 (= R288)
binding n-(phosphonoacetyl)-l-ornithine: S57 (= S56), T58 (≠ L57), R59 (= R58), T60 (= T59), R108 (= R107), L130 (= L129), H135 (= H134), N166 (= N165), D230 (= D220), S234 (= S224), M235 (= M225), C270 (= C260), L271 (= L261), R297 (= R288)

1c9yA Human ornithine transcarbamylase: crystallographic insights into substrate recognition and catalytic mechanism (see paper)
42% identity, 97% coverage: 10:300/301 of query aligns to 7:309/321 of 1c9yA

query
sites
1c9yA

K

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active site: R59 (= R58), T60 (= T59), V87 (≠ E86), R108 (= R107), H135 (= H134), Q138 (= Q137), D230 (= D220), C270 (= C260), R297 (= R288)
binding phosphoric acid mono(formamide)ester: S57 (= S56), T58 (≠ L57), R59 (= R58), T60 (= T59), R108 (= R107), C270 (= C260), L271 (= L261), R297 (= R288)
binding norvaline: L130 (= L129), N166 (= N165), D230 (= D220), S234 (= S224), M235 (= M225)

P00481 Ornithine transcarbamylase, mitochondrial; OTCase; Ornithine carbamoyltransferase, mitochondrial; EC 2.1.3.3 from Rattus norvegicus (Rat) (see 2 papers)
41% identity, 97% coverage: 10:300/301 of query aligns to 40:342/354 of P00481

query
sites
P00481

K

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L

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T

Q

T

K

Q

Q

D

V

I

G

H

I

L

G

G

E

V

R

N

E

E

P

S

V

L

R

T

D

D

I

T

A

A

K

R

N

V

L

L

E

S

R

S

F

M

V

T

E

D

G

A

I

V

A

L

A

A

R

R

V

V

Y

Y

R

K

H

Q

R

S

T

D

V

L

E

D

E

I

L

L

A

A

R

K

H

E

A

A

R

T

I

I

P

P

V

I

I

V

N

N

A

G

L

L

S

S

D

D

R

L

A

Y

H

H

P

P

L

I

Q

Q

A

I

L

L

A

A

D

D

L

Y

L

L

T

T

L

L

K

Q

E

E

A

H

F

Y

G

G

G

S

L

L

E

K

G

G

L

L

E

T

V

L

A

S

W

W

V

I

G

G

D

D

G

G

N

N

V

I

L

L

A

H

S

S

L

I

L

M

E

M

V

S

A

A

P

A

L

K

V

F

G

G

L

M

K

H

V

L

R

Q

V

A

A

A

T

T

P

P

R

K

G

G

Y

Y

E

E

P

P

E

D

A

P

A

N

L

I

L

V

A

K

R

L

A

A

G

E

A

Q

F

Y

-

A

-

K

-

E

-

N

-

G

-

T

-

R

-

L

-

S

L

M

T

T

H

N

D

D

P

P

K

L

E

E

A

A

V

A

L

R

G

G

A

G

H

N

A

V

L

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

R

K

E

K

K

K

R

R

L

L

R

Q

D

A

F

F

Q

Q

G

G

F

Y

Q

Q

A

V

N

T

G

M

P

K

L

T

L

A

D

K

L

V

L

A

H

A

P

S

E

D

G

W

I

T

F

F

L

L

H

H

C
|
C

L

L

P

P

A

R

H

K

Y

-

G

P

E

E

T

V

T

D

E

D

E

E

A

V

V

F

F

Y

G

S

P

P

R

R

S

S

R

L

V

V

F

F

D

P

Q

E

A

A

E

E

N

N

R

R

L

K

H

W

T

T

A

I

K

M

A

A

V

V

L

M

L

V

T

S

L

L

R92 (= R58) mutation to L: Strong decrease in ornithine carbamoyltransferase activity.
C303 (= C260) 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

P9WIT9 Ornithine carbamoyltransferase; OTCase; EC 2.1.3.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
42% identity, 92% coverage: 26:301/301 of query aligns to 19:305/307 of P9WIT9

query
sites
P9WIT9

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L

I

F

F

E

D

K

K

P

N

S
|
S

L
x
T

R
|
R

T
|
T

R

R

T

F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V

T

G
x
Q

I

L

G

G

E

R

R

D

E

E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N

V

L

L

E

S

R

R

F

Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P
|
P

L
x
C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

N
|
N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H

V

V

R

T

V

V

A

A

T

A

P

P

R

E

G

G

Y

F

E

L

P

P

E

D

A

P

A

S

L

V

L

R

A

A

R

A

-

A

-

E

-

R

-

A

-

Q

-

D

-

T

-

G

A

A

G

S

A

V

F

T

L

V

T

T

H

A

D

D

P

A

K

H

E

A

A

A

V

A

L

A

G

G

A

A

H

D

A

V

L

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

R

G

E

L

K

D

R

R

L

V

R

K

D

P

F

F

Q

R

G

P

F

F

Q

Q

A

L

N

N

G

S

P

R

L

L

D

A

L

L

L

A

H

D

P

S

E

D

G

A

I

I

F

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

T

I

T

T

E

D

E

A

A

V

V

M

F

D

G

G

P

P

R

A

S

S

R

A

V

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

T

A

A

Q

K

K

A

A

V

L

L

L

L

V

T

W

L

L

K

E

STRT 50:53 (≠ SLRT 56:59) binding carbamoyl phosphate
Q77 (≠ G83) binding carbamoyl phosphate
R101 (= R107) binding carbamoyl phosphate
HPCQ 128:131 (≠ HPLQ 134:137) binding carbamoyl phosphate
N160 (= N165) binding L-ornithine
D224 (= D220) binding L-ornithine
SM 228:229 (= SM 224:225) binding L-ornithine
CL 264:265 (= CL 260:261) binding carbamoyl phosphate
R292 (= R288) binding carbamoyl phosphate

7nouA Crystal structure of mycobacterium tuberculosis argf in complex with (3,5-dichlorophenyl)boronic acid.
42% identity, 92% coverage: 26:301/301 of query aligns to 20:306/308 of 7nouA

query
sites
7nouA

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L
x
I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

T
x
F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V

T

G

Q

I
x
L

G

G

E

R

R
x
D

E
|
E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N
x
V

L

L

E

S

R

R

F
x
Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P

P

L

C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H

V

V

R

T

V

V

A

A

T

A

P

P

R

E

G

G

Y

F

E

L

P

P

E

D

A

P

A

S

L

V

L

R

A

A

R

A

-

A

-

E

-

R

-

A

-

Q

-

D

-

T

-

G

A

A

G

S

A

V

F

T

L

V

T

T

H

A

D

D

P

A

K

H

E

A

A

A

V

A

L

A

G

G

A

A

H

D

A

V

L

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

R

G

E

L

K

D

R

R

L

V

R

K

D

P

F

F

Q

R

G

P

F

F

Q

Q

A

L

N

N

G

S

P

R

L

L

D

A

L

L

L

A

H

D

P

S

E

D

G

A

I

I

F

V

L

L

H

H

C
|
C

L
|
L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

T

I

T

T

E

D

E

A

A

V

V

M

F

D

G

G

P

P

R

A

S

S

R

A

V

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

T

A

A

Q

K

K

A

A

V

L

L

L

L

V

T

W

L

L

K

E

active site: R102 (= R107), H129 (= H134), Q132 (= Q137), D225 (= D220), C265 (= C260), R293 (= R288)
binding [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron: I46 (≠ L51), T52 (≠ L57), R53 (= R58), R53 (= R58), F56 (≠ T61), F56 (≠ T61), L79 (≠ I84), D82 (≠ R87), E83 (= E88), V91 (≠ N96), Y95 (≠ F100), L266 (= L261), R293 (= R288)

7nosA Crystal structure of mycobacterium tuberculosis argf in complex with 4-bromo-6-(trifluoromethyl)-1h-benzo[d]imidazole.
42% identity, 92% coverage: 26:301/301 of query aligns to 20:306/308 of 7nosA

query
sites
7nosA

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L
x
I

F

F

E

D

K

K

P

N

S

S

L

T

R

R

T

T

R

R

T

F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V

T

G

Q

I

L

G

G

E

R

R
x
D

E
|
E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N
x
V

L
|
L

E

S

R

R

F

Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P

P

L

C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H

V

V

R

T

V

V

A

A

T

A

P

P

R

E

G

G

Y

F

E

L

P

P

E

D

A

P

A

S

L

V

L

R

A

A

R

A

-

A

-

E

-

R

-

A

-

Q

-

D

-

T

-

G

A

A

G

S

A

V

F

T

L

V

T

T

H

A

D

D

P

A

K

H

E

A

A

A

V

A

L

A

G

G

A

A

H

D

A

V

L

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

R

G

E

L

K

D

R

R

L

V

R

K

D

P

F

F

Q

R

G

P

F

F

Q

Q

A

L

N

N

G

S

P

R

L

L

D

A

L

L

L

A

H

D

P

S

E

D

G

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

T

I

T

T

E

D

E

A

A

V

V

M

F

D

G

G

P

P

R

A

S

S

R

A

V

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

T

A

A

Q

K

K

A

A

V

L

L

L

L

V

T

W

L

L

K

E

active site: R102 (= R107), H129 (= H134), Q132 (= Q137), D225 (= D220), C265 (= C260), R293 (= R288)
binding 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole: I46 (≠ L51), D82 (≠ R87), E83 (= E88), V91 (≠ N96), L92 (= L97)

7norA Crystal structure of mycobacterium tuberculosis argf in complex with 2-fluoro-4-hydroxybenzonitrile.
42% identity, 92% coverage: 26:301/301 of query aligns to 20:306/308 of 7norA

query
sites
7norA

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L

I

F

F

E

D

K

K

P

N

S

S

L
x
T

R

R

T

T

R

R

T
x
F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V
x
T

G

Q

I
x
L

G

G

E

R

R

D

E

E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N

V

L

L

E

S

R

R

F

Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P

P

L

C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H

V

V

R

T

V

V

A

A

T

A

P

P

R

E

G

G

Y

F

E

L

P

P

E

D

A

P

A

S

L

V

L

R

A

A

R

A

-

A

-

E

-

R

-

A

-

Q

-

D

-

T

-

G

A

A

G

S

A

V

F

T

L

V

T

T

H

A

D

D

P

A

K

H

E

A

A

A

V

A

L

A

G

G

A

A

H

D

A

V

L

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

R

G

E

L

K

D

R

R

L

V

R

K

D

P

F

F

Q

R

G

P

F

F

Q

Q

A

L

N

N

G

S

P

R

L

L

D

A

L

L

L

A

H

D

P

S

E

D

G

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

T

I

T

T

E

D

E

A

A

V

V

M

F

D

G

G

P

P

R

A

S

S

R

A

V

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

T

A

A

Q

K

K

A

A

V

L

L

L

L

V

T

W

L

L

K

E

active site: R102 (= R107), H129 (= H134), Q132 (= Q137), D225 (= D220), C265 (= C260), R293 (= R288)
binding 2-fluoro-4-hydroxybenzonitrile: T52 (≠ L57), F56 (≠ T61), T77 (≠ V82), L79 (≠ I84)

7nnyA Crystal structure of mycobacterium tuberculosis argf in complex with naphthalen-1-ol.
42% identity, 92% coverage: 26:301/301 of query aligns to 20:306/308 of 7nnyA

query
sites
7nnyA

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L

I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

T
x
F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V

T

G

Q

I

L

G

G

E

R

R

D

E
|
E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N
x
V

L

L

E

S

R

R

F
x
Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P

P

L

C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H

V

V

R

T

V

V

A

A

T

A

P

P

R

E

G

G

Y

F

E

L

P

P

E

D

A

P

A

S

L

V

L

R

A

A

R

A

-

A

-

E

-

R

-

A

-

Q

-

D

-

T

-

G

A

A

G

S

A

V

F

T

L

V

T

T

H

A

D

D

P

A

K

H

E

A

A

A

V

A

L

A

G

G

A

A

H

D

A

V

L

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

R

G

E

L

K

D

R

R

L

V

R

K

D

P

F

F

Q

R

G

P

F

F

Q

Q

A

L

N

N

G

S

P

R

L

L

D

A

L

L

L

A

H

D

P

S

E

D

G

A

I

I

F

V

L

L

H

H

C
|
C

L

L

P

P

A

A

H

H

Y

R

G

G

E

D

E

E

T

I

T

T

E

D

E

A

A

V

V

M

F

D

G

G

P

P

R

A

S

S

R

A

V

V

F

W

D

D

Q

E

A

A

E

E

N

N

R
|
R

L

L

H

H

T

A

A

Q

K

K

A

A

V

L

L

L

L

V

T

W

L

L

K

E

active site: R102 (= R107), H129 (= H134), Q132 (= Q137), D225 (= D220), C265 (= C260), R293 (= R288)
binding 1-naphthol: T52 (≠ L57), R53 (= R58), F56 (≠ T61), E83 (= E88), V91 (≠ N96), Y95 (≠ F100)

7nnwA Crystal structure of mycobacterium tuberculosis argf in complex with methyl 4-hydroxy-3-iodobenzoate.
42% identity, 92% coverage: 26:301/301 of query aligns to 20:306/308 of 7nnwA

query
sites
7nnwA

L

V

L

L

D

E

L

L

A

A

E

A

A

E

L

L

K

K

R

K

E

D

R

P

Y

V

R

S

G

R

E

R

D

P

L

L

K

Q

G

G

-

P

K

R

S

G

L

V

A

A

L

V

L
x
I

F

F

E

D

K

K

P

N

S

S

L
x
T

R
|
R

T

T

R

R

T
x
F

T

S

L

F

E

E

V

L

A

G

M

I

V

A

H

Q

L

L

G

G

H

H

A

A

L

V

Y

V

L

V

D

D

Q

S

K

G

Q

S

V

T

G

Q

I
x
L

G

G

E

R

R

D

E

E

P

T

V

L

R

Q

D

D

I

T

A

A

K

K

N

V

L
|
L

E

S

R

R

F
x
Y

V

V

E

D

G

A

I

I

A

V

A

W

R
|
R

V

T

Y

F

R

G

H

Q

R

E

T

R

V

L

E

D

E

A

L

M

A

A

R

S

H

V

A

A

R

T

I

V

P

P

V

V

I

I

N

N

A

A

L

L

S

S

D

D

R

E

A

F

H
|
H

P

P

L

C

Q
|
Q

A

V

L

L

A

A

D

D

L

L

L

Q

T

T

L

I

K

A

E

E

A

R

F

K

G

G

G

A

L

L

E

R

G

G

L

L

E

R

V

L

A

S

W

Y

V

F

G

G

D

D

G

G

-

A

N

N

V

M

L

A

A

H

S

S

L

L

E

L

V

G

A

G

P

V

L

T

V

A

G

G

L

I

K

H