SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Echvi_0577 Echvi_0577 ornithine aminotransferase 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)
61% identity, 98% coverage: 7:411/413 of query aligns to 39:439/439 of P04181

query
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P04181

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G51 (= G19) to D: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs11553554
Y55 (= Y23) to H: in HOGA; decreased protein abundance; dbSNP:rs121965037
N89 (= N57) to K: in HOGA; no effect on protein abundance; dbSNP:rs386833602
Q90 (= Q58) to E: in HOGA; mistargeted, accumulates in cytoplasm; dbSNP:rs121965060
C93 (= C61) to F: in HOGA; no effect on protein abundance; dbSNP:rs121965038
Q104 (= Q72) to R: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833604
R154 (= R122) to L: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965039
R180 (= R148) to T: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965040
A184 (≠ V152) natural variant: Missing (in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965035)
P199 (= P167) to Q: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs267606925
A226 (≠ G195) to V: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965059
P241 (= P210) to L: in HOGA; no effect on protein abundance; dbSNP:rs121965051
Y245 (= Y214) to C: in HOGA; no effect on protein abundance; dbSNP:rs121965046
R250 (≠ A219) to P: in HOGA; no effect on protein abundance; dbSNP:rs121965052
T267 (= T236) to I: in HOGA; decreased protein abundance; dbSNP:rs386833618
A270 (= A239) to P: decreased protein abundance; dbSNP:rs121965041
R271 (= R240) to K: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965042
K292 (= K261) modified: N6-(pyridoxal phosphate)lysine
E318 (≠ Q287) to K: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833621
V332 (= V301) to M: in HOGA; loss of protein stability; loss of ornithine aminotransferase activityx; dbSNP:rs121965047
G353 (= G322) to D: in HOGA; decreased protein abundance; dbSNP:rs121965053
G375 (= G346) to A: in HOGA; decreased protein abundance; dbSNP:rs121965045
C394 (= C366) 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 (= L374) to P: in HOGA; may affect protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965043
P417 (= P389) to L: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965044
I436 (= I408) to N: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833598
L437 (≠ Q409) to F: in HOGA; no effect on protein stability; increased ornithine aminotransferase activity; dbSNP:rs1800456

Sites not aligning to the query:

1:35 modified: transit peptide, Mitochondrion; in renal form

7ta0A Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 3:403/403 of 7ta0A

query
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7ta0A

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binding 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid: Y19 (= Y23), Y49 (= Y53), G106 (= G110), V107 (≠ A111), F141 (= F145), W142 (≠ H146), D227 (= D232), I229 (= I234), Q230 (= Q235), K256 (= K261), S285 (= S290), T286 (= T291)

8ez1B Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 8ez1B

query
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G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid: Y48 (= Y53), T104 (= T109), G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), E198 (= E204), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261), R376 (= R385)

8ez1A Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 8ez1A

query
sites
8ez1A

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid: Y48 (= Y53), G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), E198 (= E204), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261), R376 (= R385)

7tfpC Human ornithine aminotransferase cocrystallized with its inhibitor, (1s,3s)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 7tfpC

query
sites
7tfpC

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid: Y18 (= Y23), Y48 (= Y53), F140 (= F145), E198 (= E204), K255 (= K261), R376 (= R385)
binding pyridoxal-5'-phosphate: G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261)

7lk0A Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor - (s)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 7lk0A

query
sites
7lk0A

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid: Y18 (= Y23), Y48 (= Y53), G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), E198 (= E204), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261)

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)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 7jx9A

query
sites
7jx9A

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y
x
F

T
x
M

P
|
P

G

G

F
|
F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D
x
R

V
x
A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F140 (= F145), E193 (= E199), D226 (= D232), Q229 (= Q235), K255 (= K261), T285 (= T291), R376 (= R385)
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 (= Y23), Y48 (= Y53), G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), E198 (= E204), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261), R376 (= R385)
binding N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine: S149 (= S154), F163 (≠ Y168), M164 (≠ T169), P165 (= P170), F167 (= F172), R180 (≠ D185), A181 (≠ V186)

6v8dA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 6v8dA

query
sites
6v8dA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T
|
T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F140 (= F145), E193 (= E199), D226 (= D232), Q229 (= Q235), K255 (= K261), T285 (= T291), R376 (= R385)
binding (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid: Y48 (= Y53), K255 (= K261)
binding pyridoxal-5'-phosphate: T104 (= T109), G105 (= G110), V106 (≠ A111), W141 (≠ H146), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261)

2canA Human ornithine aminotransferase complexed with l-canaline (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 2canA

query
sites
2canA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y

Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G
|
G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F140 (= F145), E193 (= E199), D226 (= D232), Q229 (= Q235), K255 (= K261), T285 (= T291), R376 (= R385)
binding canaline: Y18 (= Y23), F140 (= F145), R143 (= R148), G283 (= G289), S284 (= S290)
binding pyridoxal-5'-phosphate: G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), D226 (= D232), I228 (= I234), Q229 (= Q235), K255 (= K261)

1gbnB Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 1gbnB

query
sites
1gbnB

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F140 (= F145), E193 (= E199), D226 (= D232), Q229 (= Q235), K255 (= K261), T285 (= T291), R376 (= R385)
binding gabaculine: Y18 (= Y23), Y48 (= Y53), F140 (= F145), E198 (= E204), K255 (= K261)
binding pyridoxal-5'-phosphate: G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), D226 (= D232), I228 (= I234), K255 (= K261)

1gbnA Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 2:402/402 of 1gbnA

query
sites
1gbnA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F140 (= F145), E193 (= E199), D226 (= D232), Q229 (= Q235), K255 (= K261), T285 (= T291), R376 (= R385)
binding 3-aminobenzoic acid: Y18 (= Y23), Y48 (= Y53), E198 (= E204), K255 (= K261)
binding pyridoxal-5'-phosphate: G105 (= G110), V106 (≠ A111), F140 (= F145), W141 (≠ H146), D226 (= D232), I228 (= I234), K255 (= K261)

7tedA Human ornithine aminotransferase cocrystallized with its inhibitor, (s,e)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 7tedA

query
sites
7tedA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid: Y20 (= Y23), Y50 (= Y53), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), G144 (= G147), E200 (= E204), D228 (= D232), I230 (= I234), Q231 (= Q235), K257 (= K261), S286 (= S290), T287 (= T291)

7ta1A Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 7ta1A

query
sites
7ta1A

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q

Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

binding 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid: Y20 (= Y23), Y50 (= Y53), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), D228 (= D232), I230 (= I234), K257 (= K261)

7lnmB Ornithine aminotransferase (oat) cocrystallized with its inactivator - (1s,3s)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 7lnmB

query
sites
7lnmB

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

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 (= Y53), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), D228 (= D232), I230 (= I234), Q231 (= Q235), K257 (= K261)

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)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 7lk1A

query
sites
7lk1A

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E

E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

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 (= Y53), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), E200 (= E204), D228 (= D232), I230 (= I234), Q231 (= Q235), K257 (= K261), R378 (= R385)

6v8cA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 6v8cA

query
sites
6v8cA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F142 (= F145), E195 (= E199), D228 (= D232), Q231 (= Q235), K257 (= K261), T287 (= T291), R378 (= R385)
binding pyridoxal-5'-phosphate: G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), D228 (= D232), I230 (= I234), K257 (= K261)
binding 3-aminocyclohexa-1,3-diene-1-carboxylic acid: Y20 (= Y23), Y50 (= Y53), F142 (= F145), K257 (= K261)

6oiaA (1s,3s)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 6oiaA

query
sites
6oiaA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y

Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F142 (= F145), E195 (= E199), D228 (= D232), Q231 (= Q235), K257 (= K261), T287 (= T291), R378 (= R385)
binding (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid: S286 (= S290), T287 (= T291)
binding pyridoxal-5'-phosphate: G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), D228 (= D232), I230 (= I234), K257 (= K261)

5vwoA Ornithine aminotransferase inactivated by (1r,3s,4s)-3-amino-4- fluorocyclopentane-1-carboxylic acid (fcp) (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 5vwoA

query
sites
5vwoA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

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

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

I

P

P

H

Y

D

N

D

D

I

L

D

P

A

A

L

L

K

E

D

R

V

A

L

L

S

-

Q

Q

S

D

K

P

N

N

I

V

I

A

G

A

Y

F

L

M

V

V

E
|
E

P

P

I

I

Q

Q

G

G

E
|
E

A

A

G

G

V

V

Y

V

V

V

P

P

K

D

E

P

G

G

Y

Y

L

L

K

M

E

G

V

V

A

R

A

E

V

L

C

C

K

T

D

R

H

H

G

Q

V

V

L

L

F

F

M

I

A

A

D
|
D

E

E

I
|
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

K

R

L

W

L

L

A

A

C

V

D

D

H

Y

E

E

G

N

V

V

K

R

P

P

D

D

M

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

F

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

D

D

H

D

I

I

M

M

E

L

V

T

I

I

Q

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

L

L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

K

K

L

L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

V

-

D

-

K

P

S

S

D

D

L

V

V

V

E

T

L

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

I

I

Q

L

N

S

F

F

active site: F142 (= F145), E195 (= E199), D228 (= D232), Q231 (= Q235), K257 (= K261), T287 (= T291), R378 (= R385)
binding (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid: Y50 (= Y53), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), G144 (= G147), R145 (= R148), E200 (= E204), D228 (= D232), I230 (= I234), Q231 (= Q235), K257 (= K261)

2oatA Ornithine aminotransferase complexed with 5-fluoromethylornithine (see paper)
61% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 2oatA

query
sites
2oatA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y
|
Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y

Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

V

G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

G

N

N

F
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F

H
x
W

G

G

R
|
R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

T

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

P

P

G

G

F

F

V

D

T

I

I

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P

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Y

D

N

D

D

I

L

D

P

A

A

L

L

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E

D

R

V

A

L

L

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-

Q

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D

K

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I

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E
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E

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E

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A

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G

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D

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K

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G

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G

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T

F

Y

G

G

N

N

P

P

L

L

G

G

A

C

K

R

V

V

A

A

M

I

T

A

A

A

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L

N

E

V

V

V

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E

D

E

E

E

K

N

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L

A

A

E

E

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N

A

A

D

D

K

K

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L

G

G

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R

E

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M

Q

K

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-

D

-

K

P

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D

L

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V

V

E

T

L

A

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R

G

G

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K

G

G

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L

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N

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A

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I

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I

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T

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D

D

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D

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-

A

A

W

W

R

K

L

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C

C

L

L

A

R

L

L

K

R

E

D

N

N

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G

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L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
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R

F

F

A

A

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P

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V

I

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E

E

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F

active site: F142 (= F145), E195 (= E199), D228 (= D232), Q231 (= Q235), K257 (= K261), T287 (= T291), R378 (= R385)
binding 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate: Y20 (= Y23), G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), R145 (= R148), E195 (= E199), E200 (= E204), D228 (= D232), Q231 (= Q235), K257 (= K261), G285 (= G289), T287 (= T291)

2byjA Ornithine aminotransferase mutant y85i (see paper)
60% identity, 98% coverage: 7:411/413 of query aligns to 4:404/404 of 2byjA

query
sites
2byjA

S

T

S

S

Q

D

A

I

I

F

E

E

L

R

E

E

N

Y

K

K

H

Y

G

G

A

A

H

H

N

N

Y

Y

H

H

P

P

L

L

P

P

V

V

V

A

L

L

S

E

R

R

G

G

E

K

G

G

V

I

F

Y

M

L

W

W

D

D

V

V

E

E

G

G

E

R

K

K

Y

Y

Y

F

D

D

F

F

L

L

S

S

Y

I

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

R

K

I

I

L

V

Q

N

T

A

L

L

I

K

D

S

Q

Q

A

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G

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

V

V

L

L

G

G

P

E

F

Y

E

E

K

E

F

Y

L

I

T

T

E

K

Y

L

F

F

G

N

Y

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

G

A

V

G

E

E

T

T

A

A

I

C

K

K

I

L

A

A

R

R

K

K

W

W

G

G

Y

Y

E

T

K

V

K

K

G

G

I

I

P

Q

E

K

N

Y

E

K

G

A

T

K

I

I

I

V

V

F

A

A

K

A

N

G

N

N

F
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F

H
x
W

G

G

R

R

T

T

T

L

T

S

V

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

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T

A

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D

N

G

F

F

G

G

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P

Y

F

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M

P

P

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G

F

F

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I

I

I

P

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H

Y

D

N

D

D

I

L

D

P

A

A

L

L

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E

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A

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L

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-

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Q

S

D

K

P

N

N

I

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I

A

G

A

Y

F

L

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E
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E

P

P

I

I

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Q

G

G

E

E

A

A

G

G

V

V

Y

V

V

V

P

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E

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G

Y

Y

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C

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V

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L

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A

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D

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I
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I

Q
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Q

T

T

G

G

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A

A

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R

T

T

G

G

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R

L

W

L

L

A

A

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D

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Y

E

E

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P

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D

M

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I

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L

L

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K

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A

I

L

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S

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G

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L

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Y

P

P

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V

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S

A

A

V

V

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L

A

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D

I

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M

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I

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P

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G

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E

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H

G

G

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T

F

Y

G

G

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N

P

P

L

L

G

G

A

C

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R

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V

A

A

M

I

T

A

A

A

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L

N

E

V

V

V

L

K

E

D

E

E

E

K

N

L

L

A

A

E

E

N

N

A

A

D

D

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K

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L

G

G

K

I

L

I

F

L

R

R

E

N

R

E

I

L

Q

M

Q

K

L

L

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-

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-

K

P

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S

D

D

L

V

V

V

E

T

L

A

V

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R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

V

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

R

K

L

V

C

C

L

L

A

R

L

L

K

R

E

D

N

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

T

K

E

E

E

D

Q

E

L

L

H

R

D

E

C

S

C

I

D

E

I

I

E

N

K

K

T

T

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I

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L

N

S

F

F

active site: F142 (= F145), E195 (= E199), D228 (= D232), Q231 (= Q235), K257 (= K261), T287 (= T291), R378 (= R385)
binding pyridoxal-5'-phosphate: G107 (= G110), V108 (≠ A111), F142 (= F145), W143 (≠ H146), D228 (= D232), I230 (= I234), Q231 (= Q235), K257 (= K261)

Query Sequence

>Echvi_0577 Echvi_0577 ornithine aminotransferase
MMQPITSSQQAIELENKHGAHNYHPLPVVLSRGEGVFMWDVEGEKYYDFLSSYSAVNQGH
CHPRILQTLIDQAGTLTLTSRAFHNDVLGPFEKFLTEYFGYDKVLPMNTGAEGVETAIKI
ARKWGYEKKGIPENEGTIIVAKNNFHGRTTTVISFSNDETARKNFGPYTPGFVTIPHDDI
DALKDVLSQSKNIIGYLVEPIQGEAGVYVPKEGYLKEVAAVCKDHGVLFMADEIQTGIAR
TGKLLACDHEGVKPDMLILGKAISGGFYPVSAVLADDHIMEVIQPGQHGSTFGGNPLGAK
VAMTALNVVKDEKLAENADKLGKLFRERIQQLVDKSDLVELVRGKGLLNAIVINDTEDSD
TAWRLCLALKENGLLAKPTHGNIIRFAPPLVITEEQLHDCCDIIEKTIQNFKK

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