SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_041304058.1 NCBI__GCF_000092905.1:WP_041304058.1 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)
51% identity, 98% coverage: 1:385/394 of query aligns to 43:432/439 of P04181

query
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P04181

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G51 (= G9) to D: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs11553554
Y55 (= Y13) to H: in HOGA; decreased protein abundance; dbSNP:rs121965037
N89 (= N47) to K: in HOGA; no effect on protein abundance; dbSNP:rs386833602
Q90 (= Q48) to E: in HOGA; mistargeted, accumulates in cytoplasm; dbSNP:rs121965060
C93 (≠ R51) to F: in HOGA; no effect on protein abundance; dbSNP:rs121965038
Q104 (= Q62) to R: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833604
R154 (= R112) to L: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965039
R180 (= R138) to T: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965040
A184 (≠ V142) natural variant: Missing (in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965035)
P199 (= P157) to Q: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs267606925
A226 (≠ G183) to V: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965059
P241 (= P198) to L: in HOGA; no effect on protein abundance; dbSNP:rs121965051
Y245 (= Y202) to C: in HOGA; no effect on protein abundance; dbSNP:rs121965046
R250 (= R207) to P: in HOGA; no effect on protein abundance; dbSNP:rs121965052
T267 (= T224) to I: in HOGA; decreased protein abundance; dbSNP:rs386833618
A270 (≠ G227) to P: decreased protein abundance; dbSNP:rs121965041
R271 (= R228) to K: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965042
K292 (= K249) modified: N6-(pyridoxal phosphate)lysine
E318 (≠ S275) to K: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833621
V332 (= V289) to M: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965047
G353 (= G310) to D: in HOGA; decreased protein abundance; dbSNP:rs121965053
G375 (= G332) to A: in HOGA; decreased protein abundance; dbSNP:rs121965045
C394 (= C347) 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 (= L355) to P: in HOGA; may affect protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965043
P417 (= P370) 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)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 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 (= Y43), T104 (= T99), G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), E198 (= E192), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249), R376 (= R366)

8ez1A Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 8ez1A

query
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V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid: Y48 (= Y43), G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), E198 (= E192), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249), R376 (= R366)

7tfpC Human ornithine aminotransferase cocrystallized with its inhibitor, (1s,3s)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 7tfpC

query
sites
7tfpC

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid: Y18 (= Y13), Y48 (= Y43), F140 (= F135), E198 (= E192), K255 (= K249), R376 (= R366)
binding pyridoxal-5'-phosphate: G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249)

7lk0A Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor - (s)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 7lk0A

query
sites
7lk0A

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid: Y18 (= Y13), Y48 (= Y43), G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), E198 (= E192), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249)

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)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 7jx9A

query
sites
7jx9A

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S
|
S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L
x
F

T
x
M

P
|
P

G

G

F
|
F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R
|
R

A
|
A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F140 (= F135), E193 (= E187), D226 (= D220), Q229 (= Q223), K255 (= K249), T285 (= T279), R376 (= R366)
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 (= Y13), Y48 (= Y43), G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), E198 (= E192), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249), R376 (= R366)
binding N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine: S149 (= S144), F163 (≠ L158), M164 (≠ T159), P165 (= P160), F167 (= F162), R180 (= R175), A181 (= A176)

6v8dA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 6v8dA

query
sites
6v8dA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T
|
T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F140 (= F135), E193 (= E187), D226 (= D220), Q229 (= Q223), K255 (= K249), T285 (= T279), R376 (= R366)
binding (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid: Y48 (= Y43), K255 (= K249)
binding pyridoxal-5'-phosphate: T104 (= T99), G105 (= G100), V106 (≠ T101), W141 (≠ H136), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249)

2canA Human ornithine aminotransferase complexed with l-canaline (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 2canA

query
sites
2canA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y

Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R
|
R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G
|
G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F140 (= F135), E193 (= E187), D226 (= D220), Q229 (= Q223), K255 (= K249), T285 (= T279), R376 (= R366)
binding canaline: Y18 (= Y13), F140 (= F135), R143 (= R138), G283 (= G277), S284 (= S278)
binding pyridoxal-5'-phosphate: G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), D226 (= D220), I228 (= I222), Q229 (= Q223), K255 (= K249)

1gbnB Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 1gbnB

query
sites
1gbnB

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F140 (= F135), E193 (= E187), D226 (= D220), Q229 (= Q223), K255 (= K249), T285 (= T279), R376 (= R366)
binding gabaculine: Y18 (= Y13), Y48 (= Y43), F140 (= F135), E198 (= E192), K255 (= K249)
binding pyridoxal-5'-phosphate: G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), D226 (= D220), I228 (= I222), K255 (= K249)

1gbnA Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 6:395/402 of 1gbnA

query
sites
1gbnA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F140 (= F135), E193 (= E187), D226 (= D220), Q229 (= Q223), K255 (= K249), T285 (= T279), R376 (= R366)
binding 3-aminobenzoic acid: Y18 (= Y13), Y48 (= Y43), E198 (= E192), K255 (= K249)
binding pyridoxal-5'-phosphate: G105 (= G100), V106 (≠ T101), F140 (= F135), W141 (≠ H136), D226 (= D220), I228 (= I222), K255 (= K249)

7ta0A Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 7:396/403 of 7ta0A

query
sites
7ta0A

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid: Y19 (= Y13), Y49 (= Y43), G106 (= G100), V107 (≠ T101), F141 (= F135), W142 (≠ H136), D227 (= D220), I229 (= I222), Q230 (= Q223), K256 (= K249), S285 (= S278), T286 (= T279)

7tedA Human ornithine aminotransferase cocrystallized with its inhibitor, (s,e)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 7tedA

query
sites
7tedA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G
|
G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid: Y20 (= Y13), Y50 (= Y43), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), G144 (= G137), E200 (= E192), D228 (= D220), I230 (= I222), Q231 (= Q223), K257 (= K249), S286 (= S278), T287 (= T279)

7ta1A Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 7ta1A

query
sites
7ta1A

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q

Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid: Y20 (= Y13), Y50 (= Y43), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), D228 (= D220), I230 (= I222), K257 (= K249)

7lnmB Ornithine aminotransferase (oat) cocrystallized with its inactivator - (1s,3s)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 7lnmB

query
sites
7lnmB

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid: Y50 (= Y43), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), D228 (= D220), I230 (= I222), Q231 (= Q223), K257 (= K249)

7lk1A Ornithine aminotransferase (oat) with its potent inhibitor - (s)-3- amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) - 1 hour soaking (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 7lk1A

query
sites
7lk1A

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

binding (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid: Y50 (= Y43), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), E200 (= E192), D228 (= D220), I230 (= I222), Q231 (= Q223), K257 (= K249), R378 (= R366)

6v8cA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 6v8cA

query
sites
6v8cA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F142 (= F135), E195 (= E187), D228 (= D220), Q231 (= Q223), K257 (= K249), T287 (= T279), R378 (= R366)
binding pyridoxal-5'-phosphate: G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), D228 (= D220), I230 (= I222), K257 (= K249)
binding 3-aminocyclohexa-1,3-diene-1-carboxylic acid: Y20 (= Y13), Y50 (= Y43), F142 (= F135), K257 (= K249)

6oiaA (1s,3s)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 6oiaA

query
sites
6oiaA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y

Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F142 (= F135), E195 (= E187), D228 (= D220), Q231 (= Q223), K257 (= K249), T287 (= T279), R378 (= R366)
binding (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid: S286 (= S278), T287 (= T279)
binding pyridoxal-5'-phosphate: G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), D228 (= D220), I230 (= I222), K257 (= K249)

5vwoA Ornithine aminotransferase inactivated by (1r,3s,4s)-3-amino-4- fluorocyclopentane-1-carboxylic acid (fcp) (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 5vwoA

query
sites
5vwoA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G
|
G

R
|
R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F142 (= F135), E195 (= E187), D228 (= D220), Q231 (= Q223), K257 (= K249), T287 (= T279), R378 (= R366)
binding (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid: Y50 (= Y43), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), G144 (= G137), R145 (= R138), E200 (= E192), D228 (= D220), I230 (= I222), Q231 (= Q223), K257 (= K249)

2oatA Ornithine aminotransferase complexed with 5-fluoromethylornithine (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 2oatA

query
sites
2oatA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y
|
Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y

Y

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R
|
R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I

I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G
|
G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F142 (= F135), E195 (= E187), D228 (= D220), Q231 (= Q223), K257 (= K249), T287 (= T279), R378 (= R366)
binding 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate: Y20 (= Y13), G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), R145 (= R138), E195 (= E187), E200 (= E192), D228 (= D220), Q231 (= Q223), K257 (= K249), G285 (= G277), T287 (= T279)

2byjA Ornithine aminotransferase mutant y85i (see paper)
51% identity, 98% coverage: 1:385/394 of query aligns to 8:397/404 of 2byjA

query
sites
2byjA

M

I

I

F

E

E

R

R

E

E

D

Y

R

K

Y

Y

G

G

A

A

R

H

N

N

Y

Y

D

H

P

P

L

L

P

P

V

V

V

A

L

L

T

E

K

R

G

G

E

K

G

G

V

I

W

Y

V

L

E

W

D

D

V

V

E

E

G

G

R

R

R

K

Y

Y

L

F

D

D

M

F

L

L

S

S

A

S

Y

I

S

S

A

A

L

V

N

N

Q

Q

G

G

H

H

R

C

H

H

P

P

R

K

I

I

I

V

Q

N

A

A

L

L

K

K

A

S

Q

Q

A

V

D

D

R

K

I

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

K

V

L

L

G

G

F

E

F

Y

Y

E

E

E

R

Y

L

I

A

T

Q

K

L

L

T

F

H

N

K

Y

D

H

T

K

I

V

L

L

P

P

M

M

N

N

T

T

G
|
G

T
x
V

E

E

A

A

V

G

E

E

T

T

A

A

I

C

K

K

A

L

M

A

R

R

R

K

W

W

A

G

Y

Y

R

T

V

V

R

K

G

G

V

I

P

Q

E

K

D

Y

Q

K

A

A

E

K

I

I

I

V

V

F

A

A

T

A

G

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

S

T

E

D

P

P

E

T

Y

S

R

Y

E

D

G

G

F

F

G

G

P

P

L

F

T

M

P

P

G

G

F

F

R

D

V

I

P

P

Y

Y

G

N

D

D

I

L

E

P

A

A

L

L

R

E

R

R

A

A

-

L

A

Q

G

D

P

P

H

N

T

V

A

A

G

A

V

F

L

M

L

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

I

V

V

V

L

V

P

P

P

D

D

P

G

G

Y

Y

L

L

R

M

E

G

V

V

R

R

R

E

I

L

C

C

T

T

E

R

N

H

G

Q

I

V

V

L

F

F

A

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

L

L

G

A

R

R

T

T

G

G

Q

R

W

W

F

L

A

A

C

V

D

D

W

Y

E

E

N

N

V

V

T

R

P

P

D

D

L

I

Y

V

I

L

L

L

G

G

K
|
K

A

A

L

L

G

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

A

L

A

C

N

D

R

D

D

D

I

I

L

M

G

L

V

T

F

I

E

K

P

P

G

G

S

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

A

G

A

C

A

R

V

V

A

A

V

I

T

A

A

A

L

L

Q

E

V

V

I

L

E

E

D

E

E

E

K

N

L

L

V

A

D

E

R

N

S

A

R

D

E

K

L

L

G

G

A

I

Y

I

F

L

L

R

V

N

R

E

L

L

R

M

T

K

L

L

R

P

H

S

P

D

A

V

I

V

R

T

E

A

V

V

R

R

G

G

R

K

G

G

L

L

F

L

I

N

G

A

L

I

E

V

L

I

T

K

S

E

P

T

-

K

-

D

-

W

-

D

A

A

R

W

P

K

Y

V

C

C

E

L

K

R

L

L

K

R

N

D

R

N

G

G

L

L

C

A

K

K

E

P

T

T

H

H

E

G

T

D

T

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

Q

K

K

E

E

D

E

E

L

L

D

R

W

E

A

S

F

I

E

E

Q

I

I

I

active site: F142 (= F135), E195 (= E187), D228 (= D220), Q231 (= Q223), K257 (= K249), T287 (= T279), R378 (= R366)
binding pyridoxal-5'-phosphate: G107 (= G100), V108 (≠ T101), F142 (= F135), W143 (≠ H136), D228 (= D220), I230 (= I222), Q231 (= Q223), K257 (= K249)

Query Sequence

>WP_041304058.1 NCBI__GCF_000092905.1:WP_041304058.1
MIEREDRYGARNYDPLPVVLTKGEGVWVEDVEGRRYLDMLSAYSALNQGHRHPRIIQALK
AQADRITLTSRAFYNDKLGFFYERLAQLTHKDTILPMNTGTEAVETAIKAMRRWAYRVRG
VPEDQAEIIVATGNFHGRTTTVISFSSEPEYREGFGPLTPGFRVVPYGDIEALRRAAGPH
TAGVLLEPIQGEAGIVLPPDGYLREVRRICTENGIVFAADEIQTGLGRTGQWFACDWENV
TPDLYILGKALGGGVYPVSAVAANRDILGVFEPGSHGSTFGGNPLAAAVAVTALQVIEDE
KLVDRSRELGAYFLVRLRTLRHPAIREVRGRGLFIGLELTSPARPYCEKLKNRGLLCKET
HETTIRFAPPLVIQKEELDWAFEQIAEVFRPEAG

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