SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_078212259.1 NCBI__GCF_002017945.1:WP_078212259.1 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)
60% identity, 97% coverage: 12:426/427 of query aligns to 40:439/439 of P04181

query
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P04181

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G51 (= G23) to D: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs11553554
Y55 (= Y27) to H: in HOGA; decreased protein abundance; dbSNP:rs121965037
N89 (= N61) to K: in HOGA; no effect on protein abundance; dbSNP:rs386833602
Q90 (= Q62) to E: in HOGA; mistargeted, accumulates in cytoplasm; dbSNP:rs121965060
C93 (= C65) to F: in HOGA; no effect on protein abundance; dbSNP:rs121965038
Q104 (= Q76) to R: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833604
R154 (= R126) to L: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965039
R180 (= R152) to T: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965040
A184 (≠ I156) natural variant: Missing (in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965035)
P199 (= P171) to Q: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs267606925
A226 (≠ G199) to V: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965059
P241 (= P214) to L: in HOGA; no effect on protein abundance; dbSNP:rs121965051
Y245 (= Y218) to C: in HOGA; no effect on protein abundance; dbSNP:rs121965046
R250 (≠ K223) to P: in HOGA; no effect on protein abundance; dbSNP:rs121965052
T267 (= T240) to I: in HOGA; decreased protein abundance; dbSNP:rs386833618
A270 (= A243) to P: decreased protein abundance; dbSNP:rs121965041
R271 (= R244) to K: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965042
K292 (= K276) modified: N6-(pyridoxal phosphate)lysine
E318 (≠ Q302) to K: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833621
V332 (= V316) to M: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965047
G353 (= G337) to D: in HOGA; decreased protein abundance; dbSNP:rs121965053
G375 (= G361) to A: in HOGA; decreased protein abundance; dbSNP:rs121965045
C394 (= C381) 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 (= L389) to P: in HOGA; may affect protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965043
P417 (= P404) to L: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965044
I436 (≠ L423) to N: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833598
L437 (≠ N424) to F: in HOGA; likely benign; no effect on protein stability; no effect on ornithine aminotransferase activity; dbSNP:rs1800456

Sites not aligning to the query:

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

8ez1B Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 8ez1B

query
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8ez1B

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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 (= Y57), T104 (= T113), G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), E198 (= E208), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276), R376 (= R400)

8ez1A Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 8ez1A

query
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M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

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 (= Y57), G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), E198 (= E208), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276), R376 (= R400)

7tfpC Human ornithine aminotransferase cocrystallized with its inhibitor, (1s,3s)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 7tfpC

query
sites
7tfpC

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

binding (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid: Y18 (= Y27), Y48 (= Y57), F140 (= F149), E198 (= E208), K255 (= K276), R376 (= R400)
binding pyridoxal-5'-phosphate: G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276)

7lk0A Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor - (s)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 7lk0A

query
sites
7lk0A

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T

T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R

R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

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 (= Y27), Y48 (= Y57), G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), E198 (= E208), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276)

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)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 7jx9A

query
sites
7jx9A

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S
|
S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F
|
F

T
x
M

E
x
P

G

G

F
|
F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K
x
R

A
|
A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

active site: F140 (= F149), E193 (= E203), D226 (= D236), Q229 (= Q239), K255 (= K276), T285 (= T306), R376 (= R400)
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 (= Y27), Y48 (= Y57), G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), E198 (= E208), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276), R376 (= R400)
binding N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine: S149 (= S158), F163 (= F172), M164 (≠ T173), P165 (≠ E174), F167 (= F176), R180 (≠ K189), A181 (= A190)

6v8dA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 6v8dA

query
sites
6v8dA

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T
|
T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

active site: F140 (= F149), E193 (= E203), D226 (= D236), Q229 (= Q239), K255 (= K276), T285 (= T306), R376 (= R400)
binding (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid: Y48 (= Y57), K255 (= K276)
binding pyridoxal-5'-phosphate: T104 (= T113), G105 (= G114), V106 (≠ A115), W141 (≠ H150), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276)

2canA Human ornithine aminotransferase complexed with l-canaline (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 2canA

query
sites
2canA

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y

Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R
|
R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G
|
G

S
|
S

T
|
T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

active site: F140 (= F149), E193 (= E203), D226 (= D236), Q229 (= Q239), K255 (= K276), T285 (= T306), R376 (= R400)
binding canaline: Y18 (= Y27), F140 (= F149), R143 (= R152), G283 (= G304), S284 (= S305)
binding pyridoxal-5'-phosphate: G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), D226 (= D236), I228 (≠ V238), Q229 (= Q239), K255 (= K276)

1gbnB Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 1gbnB

query
sites
1gbnB

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

active site: F140 (= F149), E193 (= E203), D226 (= D236), Q229 (= Q239), K255 (= K276), T285 (= T306), R376 (= R400)
binding gabaculine: Y18 (= Y27), Y48 (= Y57), F140 (= F149), E198 (= E208), K255 (= K276)
binding pyridoxal-5'-phosphate: G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), D226 (= D236), I228 (≠ V238), K255 (= K276)

1gbnA Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 3:402/402 of 1gbnA

query
sites
1gbnA

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

I

L

S

S

G

G

V

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

E

D

I

I

M

M

N

L

V

T

I

I

K

K

P

P

G

G

Q

E

H

H

G

G

S

S

T
|
T

F

Y

G

G

N

N

P

P

V

L

A

G

A

C

A

R

V

V

A

A

I

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

A

E

N

N

A

A

D

D

R

K

L

L

G

G

N

I

I

I

L

L

R

R

Q

N

G

E

L

L

N

M

D

K

I

L

A

P

A

S

K

D

N

-

P

-

L

V

I

V

T

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

S

E

D

T

E

K

D

D

S

W

D

D

L

-

A

A

W

W

D

K

I

V

C

C

L

L

R

R

F

L

R

R

D

D

Y

N

G

G

L

L

A

A

K

K

P

P

T

T

H

H

G

G

N

D

K

I

I

I

R
|
R

F

F

A

A

P

P

L

L

V

V

I

I

S

K

E

E

E

D

Q

E

I

L

Q

R

E

E

C

S

L

I

A

E

I

I

E

N

K

K

A

T

L

I

N

L

D

S

F

F

active site: F140 (= F149), E193 (= E203), D226 (= D236), Q229 (= Q239), K255 (= K276), T285 (= T306), R376 (= R400)
binding 3-aminobenzoic acid: Y18 (= Y27), Y48 (= Y57), E198 (= E208), K255 (= K276)
binding pyridoxal-5'-phosphate: G105 (= G114), V106 (≠ A115), F140 (= F149), W141 (≠ H150), D226 (= D236), I228 (≠ V238), K255 (= K276)

7ta0A Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid (see paper)
60% identity, 97% coverage: 12:426/427 of query aligns to 4:403/403 of 7ta0A

query
sites
7ta0A

S

S

E

D

V

D

L

I

I

F

E

E

K

R

E

E

N

Y

Q

K

F

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

E

E

R

R

G

G

E

K

G

G

V

I

Y

Y

V

L

W

W

D

D

V

V

D

E

G

G

K

R

K

K

Y

Y

F

F

D

D

F

F

L

L

S

S

A

S

Y
|
Y

S

S

A

A

V

V

N

N

Q

Q

G

G

H

H

C

C

H

H

P

P

K

K

I

I

I

V

G

N

A

A

M

L

I

K

E

S

Q

Q

A

V

Q

D

K

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

H

Y

N

N

D

N

K

V

L

L

G

G

V

E

F

Y

E

E

Y

Y

I

I

T

T

D

K

Y

L

F

F

G

N

F

Y

D

H

K

K

V

V

L

L

P

P

M

M

N

N

T

T

G
|
G

A
x
V

E

E

A

A

V

G

E

E

T

T

A

A

L

C

K

K

L

L

C

A

R

R

K

K

W

W

A

G

Y

Y

E

T

V

V

K

K

G

G

I

I

P

Q

E

K

N

Y

Q

K

A

A

Q

K

V

I

I

V

V

F

C

A

E

A

N

G

N

N

F
|
F

H
x
W

G

G

R

R

T

T

T

L

T

S

I

A

I

I

S

S

F

S

S

S

N

T

D

D

E

P

G

T

A

S

R

Y

K

D

S

G

F

F

G

G

P

P

F

F

T

M

E

P

G

G

F

F

I

D

R

I

I

I

P

P

Y

Y

D

N

D

D

I

L

D

P

A

A

L

L

E

E

K

R

A

A

L

L

Q

Q

S

-

S

D

P

P

N

N

I

V

A

A

G

A

F

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

S

D

E

P

G

G

Y

Y

L

L

A

M

K

G

A

V

K

R

A

E

L

L

C

C

E

T

A

R

H

H

N

Q

A

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V
x
I

Q
|
Q

T

T

G

G

I

L

A

A

R

R

T

T

G

G

R

R

L

W

L

L

A

A

T

V

C

-

G

-

N

-

C

-

S

-

C

-

E

-

K

-

G

-

C

-

E

-

K

D

T

Y

P

E

E

N

V

V

K

R

P

P

D

D

I

I

L

V