SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013420658.1 NCBI__GCF_000166055.1:WP_013420658.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P04181 Ornithine aminotransferase, mitochondrial; Ornithine delta-aminotransferase; Ornithine--oxo-acid aminotransferase; EC 2.6.1.13 from Homo sapiens (Human) (see 8 papers)
53% identity, 95% coverage: 15:403/411 of query aligns to 39:429/439 of P04181

query
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P04181

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G51 (= G27) to D: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs11553554
Y55 (= Y31) to H: in HOGA; decreased protein abundance; dbSNP:rs121965037
N89 (= N65) to K: in HOGA; no effect on protein abundance; dbSNP:rs386833602
Q90 (= Q66) to E: in HOGA; mistargeted, accumulates in cytoplasm; dbSNP:rs121965060
C93 (= C69) to F: in HOGA; no effect on protein abundance; dbSNP:rs121965038
Q104 (= Q80) to R: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833604
R154 (= R130) to L: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965039
R180 (= R156) to T: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965040
A184 (≠ V160) natural variant: Missing (in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965035)
P199 (= P175) to Q: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs267606925
A226 (= A201) to V: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965059
P241 (= P216) to L: in HOGA; no effect on protein abundance; dbSNP:rs121965051
Y245 (= Y220) to C: in HOGA; no effect on protein abundance; dbSNP:rs121965046
R250 (= R225) to P: in HOGA; no effect on protein abundance; dbSNP:rs121965052
T267 (= T242) to I: in HOGA; decreased protein abundance; dbSNP:rs386833618
A270 (≠ G245) to P: decreased protein abundance; dbSNP:rs121965041
R271 (= R246) to K: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965042
K292 (= K267) modified: N6-(pyridoxal phosphate)lysine
E318 (= E293) to K: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833621
V332 (= V307) to M: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965047
G353 (= G328) to D: in HOGA; decreased protein abundance; dbSNP:rs121965053
G375 (= G350) to A: in HOGA; decreased protein abundance; dbSNP:rs121965045
C394 (= C368) to R: in HOGA; no effect on protein abundance; dbSNP:rs121965054; to Y: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833597
L402 (≠ I376) to P: in HOGA; may affect protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965043
P417 (= P391) to L: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965044

Sites not aligning to the query:

1:35 modified: transit peptide, Mitochondrion; in renal form
436 I → N: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833598
437 L → F: in HOGA; likely benign; no effect on protein stability; no effect on ornithine aminotransferase activity; dbSNP:rs1800456

8ez1B Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 8ez1B

query
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binding (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid: Y48 (= Y61), T104 (= T117), G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), E198 (= E210), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267), R376 (= R387)

8ez1A Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 8ez1A

query
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I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

binding (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid: Y48 (= Y61), G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), E198 (= E210), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267), R376 (= R387)

7tfpC Human ornithine aminotransferase cocrystallized with its inhibitor, (1s,3s)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 7tfpC

query
sites
7tfpC

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

binding (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid: Y18 (= Y31), Y48 (= Y61), F140 (= F153), E198 (= E210), K255 (= K267), R376 (= R387)
binding pyridoxal-5'-phosphate: G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267)

7lk0A Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor - (s)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 7lk0A

query
sites
7lk0A

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R

R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

binding (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid: Y18 (= Y31), Y48 (= Y61), G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), E198 (= E210), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267)

7jx9A The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1s,3s)-3-amino-4- (hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 7jx9A

query
sites
7jx9A

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S
|
S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F
|
F

T
x
M

P
|
P

G

G

F
|
F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D
x
R

A
|
A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

active site: F140 (= F153), E193 (= E205), D226 (= D238), Q229 (= Q241), K255 (= K267), T285 (= T297), R376 (= R387)
binding (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid: Y18 (= Y31), Y48 (= Y61), G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), E198 (= E210), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267), R376 (= R387)
binding N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine: S149 (= S162), F163 (= F176), M164 (≠ T177), P165 (= P178), F167 (= F180), R180 (≠ D193), A181 (= A194)

6v8dA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 6v8dA

query
sites
6v8dA

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y

Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T
|
T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

active site: F140 (= F153), E193 (= E205), D226 (= D238), Q229 (= Q241), K255 (= K267), T285 (= T297), R376 (= R387)
binding (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid: Y48 (= Y61), K255 (= K267)
binding pyridoxal-5'-phosphate: T104 (= T117), G105 (= G118), V106 (≠ A119), W141 (≠ H154), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267)

2canA Human ornithine aminotransferase complexed with l-canaline (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 2canA

query
sites
2canA

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y

Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R
|
R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G
|
G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

active site: F140 (= F153), E193 (= E205), D226 (= D238), Q229 (= Q241), K255 (= K267), T285 (= T297), R376 (= R387)
binding canaline: Y18 (= Y31), F140 (= F153), R143 (= R156), G283 (= G295), S284 (= S296)
binding pyridoxal-5'-phosphate: G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), D226 (= D238), I228 (= I240), Q229 (= Q241), K255 (= K267)

1gbnB Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 1gbnB

query
sites
1gbnB

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

active site: F140 (= F153), E193 (= E205), D226 (= D238), Q229 (= Q241), K255 (= K267), T285 (= T297), R376 (= R387)
binding gabaculine: Y18 (= Y31), Y48 (= Y61), F140 (= F153), E198 (= E210), K255 (= K267)
binding pyridoxal-5'-phosphate: G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), D226 (= D238), I228 (= I240), K255 (= K267)

1gbnA Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 2:392/402 of 1gbnA

query
sites
1gbnA

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R
|
R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

active site: F140 (= F153), E193 (= E205), D226 (= D238), Q229 (= Q241), K255 (= K267), T285 (= T297), R376 (= R387)
binding 3-aminobenzoic acid: Y18 (= Y31), Y48 (= Y61), E198 (= E210), K255 (= K267)
binding pyridoxal-5'-phosphate: G105 (= G118), V106 (≠ A119), F140 (= F153), W141 (≠ H154), D226 (= D238), I228 (= I240), K255 (= K267)

7ta0A Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 3:393/403 of 7ta0A

query
sites
7ta0A

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

R

V

E

N

A

A

M

L

V

K

E

S

Q

Q

A

V

G

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

R

Y

N

N

D

N

Q

V

L

L

A

G

P

E

F

Y

F

E

E

E

E

Y

L

I

C

T

K

K

L

L

T

F

R

N

S

Y

H

H

R

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

V

A

R

R

K

K

W

W

G

G

Y

Y

T

T

V

V

K

K

G

G

V

I

P

Q

Q

K

D

Y

K

K

A

A

E

K

I

I

I

V

V

F

F

A

D

A

K

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

V

I

S

S

F

S

S

S

T

T

D

D

E

P

T

T

A

S

R

Y

E

D

G

G

F

F

G

G

P

P

F

F

T

M

P

P

G

G

F

F

K

D

I

I

P

P

F

Y

G

N

D

D

I

L

K

P

A

A

L

L

E

E

D

R

A

A

V

L

T

Q

-

D

P

P

N

N

T

V

V

A

A

A

V

F

L

M

M

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

I

V

P

P

P

D

P

P

G

G

Y

Y

V

L

K

M

A

G

A

V

R

R

E

E

L

L

C

C

T

T

R

R

E

H

K

Q

I

V

V

L

F

F

I

I

L

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

E

V

E

D

H

Y

E

E

G

N

V

V

E

R

S

P

D

D

M

I

T

V

L

L

G

G

K
|
K

G

A

L

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

S

C

T

D

S

D

R

D

I

I

M

M

G

L

V

T

L

I

K

K

P

P

G

G

E

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

C

C

A

R

V

V

A

A

R

I

A

A

L

L

R

E

V

V

V

L

T

E

E

E

G

N

M

L

V

A

E

E

N

N

S

A

A

D

A

K

M

L

G

G

A

I

Y

I

F

L

S

R

E

N

G

E

L

L

R

M

A

K

I

L

N

P

S

S

H

D

V

V

K

T

E

A

I

V

R

R

G

G

R

K

G

G

L

L

M

L

M

N

A

A

I

I

E

V

L

I

H

K

P

E

D

T

A

K

G

D

-

W

G

D

A

A

R

W

R

K

Y

V

C

C

A

L

A

R

L

L

K

R

H

D

R

N

G

G

I

L

L

L

C

A

K

K

D

P

T

T

K

H

E

G

H

D

T

I

I

I

R

R

V

F

S

A

P

P

L

L

I

V

I

I

K

K

R

E

A

D

E

E

V

L

D

R

Q

E

A

S

L

I

binding 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid: Y19 (= Y31), Y49 (= Y61), G106 (= G118), V107 (≠ A119), F141 (= F153), W142 (≠ H154), D227 (= D238), I229 (= I240), Q230 (= Q241), K256 (= K267), S285 (= S296), T286 (= T297)

8v9mA Human ornithine aminotransferase cocrystallized with its inhibitor, (r)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. (see paper)
53% identity, 95% coverage: 15:403/411 of query aligns to 4:394/404 of 8v9mA

query
sites
8v9mA

S

T

A

S

H

D

D

D

F

I

I

F

A

E

T

R

E

E

N

Y

E

K

F

Y

G

G

A

A

T

H

N

N

Y
|
Y

K

H

P

P

L

L

D

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

W

Y

V

L

W

W

D

D

V

V

E

E

G

G

N

R

R

K

Y

Y

L

F

D

D

C

F

L

L

S

S

G

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C