SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_055436832.1 NCBI__GCF_001418085.1:WP_055436832.1 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)
58% identity, 98% coverage: 8:424/426 of query aligns to 39:439/439 of P04181

query
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P04181

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G51 (= G20) to D: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs11553554
Y55 (= Y24) to H: in HOGA; decreased protein abundance; dbSNP:rs121965037
N89 (= N58) to K: in HOGA; no effect on protein abundance; dbSNP:rs386833602
Q90 (= Q59) to E: in HOGA; mistargeted, accumulates in cytoplasm; dbSNP:rs121965060
C93 (= C62) to F: in HOGA; no effect on protein abundance; dbSNP:rs121965038
Q104 (= Q73) to R: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833604
R154 (= R123) to L: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965039
R180 (= R149) to T: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965040
A184 (≠ I153) natural variant: Missing (in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965035)
P199 (= P168) to Q: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs267606925
A226 (≠ G196) to V: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965059
P241 (= P211) to L: in HOGA; no effect on protein abundance; dbSNP:rs121965051
Y245 (= Y215) to C: in HOGA; no effect on protein abundance; dbSNP:rs121965046
R250 (≠ K220) to P: in HOGA; no effect on protein abundance; dbSNP:rs121965052
T267 (= T237) to I: in HOGA; decreased protein abundance; dbSNP:rs386833618
A270 (= A240) to P: decreased protein abundance; dbSNP:rs121965041
R271 (= R241) to K: in HOGA; no effect on protein abundance; loss of ornithine aminotransferase activity; dbSNP:rs121965042
K292 (= K274) modified: N6-(pyridoxal phosphate)lysine
E318 (≠ N300) to K: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833621
V332 (≠ I314) to M: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965047
G353 (= G335) to D: in HOGA; decreased protein abundance; dbSNP:rs121965053
G375 (= G359) to A: in HOGA; decreased protein abundance; dbSNP:rs121965045
C394 (= C379) 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 (= L387) to P: in HOGA; may affect protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965043
P417 (= P402) to L: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs121965044
I436 (≠ L421) to N: in HOGA; loss of protein stability; loss of ornithine aminotransferase activity; dbSNP:rs386833598
L437 (≠ A422) 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

8v9mA Human ornithine aminotransferase cocrystallized with its inhibitor, (r)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 8v9mA

query
sites
8v9mA

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binding 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid: Y20 (= Y24), Y50 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), E200 (= E205), D228 (= D233), I230 (≠ V235), Q231 (= Q236), K257 (= K274), K370 (= K390)

7tedA Human ornithine aminotransferase cocrystallized with its inhibitor, (s,e)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 7tedA

query
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7tedA

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S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y24), Y50 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), G144 (= G148), E200 (= E205), D228 (= D233), I230 (≠ V235), Q231 (= Q236), K257 (= K274), S286 (= S303), T287 (= T304)

7ta1A Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 7ta1A

query
sites
7ta1A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

binding 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid: Y20 (= Y24), Y50 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), D228 (= D233), I230 (≠ V235), K257 (= K274)

7lnmB Ornithine aminotransferase (oat) cocrystallized with its inactivator - (1s,3s)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 7lnmB

query
sites
7lnmB

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), D228 (= D233), I230 (≠ V235), Q231 (= Q236), K257 (= K274)

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)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 7lk1A

query
sites
7lk1A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), E200 (= E205), D228 (= D233), I230 (≠ V235), Q231 (= Q236), K257 (= K274), R378 (= R398)

6v8cA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 6v8cA

query
sites
6v8cA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F142 (= F146), E195 (= E200), D228 (= D233), Q231 (= Q236), K257 (= K274), T287 (= T304), R378 (= R398)
binding pyridoxal-5'-phosphate: G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), D228 (= D233), I230 (≠ V235), K257 (= K274)
binding 3-aminocyclohexa-1,3-diene-1-carboxylic acid: Y20 (= Y24), Y50 (= Y54), F142 (= F146), K257 (= K274)

6oiaA (1s,3s)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 6oiaA

query
sites
6oiaA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F142 (= F146), E195 (= E200), D228 (= D233), Q231 (= Q236), K257 (= K274), T287 (= T304), R378 (= R398)
binding (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid: S286 (= S303), T287 (= T304)
binding pyridoxal-5'-phosphate: G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), D228 (= D233), I230 (≠ V235), K257 (= K274)

5vwoA Ornithine aminotransferase inactivated by (1r,3s,4s)-3-amino-4- fluorocyclopentane-1-carboxylic acid (fcp) (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 5vwoA

query
sites
5vwoA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F142 (= F146), E195 (= E200), D228 (= D233), Q231 (= Q236), K257 (= K274), T287 (= T304), R378 (= R398)
binding (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid: Y50 (= Y54), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), G144 (= G148), R145 (= R149), E200 (= E205), D228 (= D233), I230 (≠ V235), Q231 (= Q236), K257 (= K274)

2oatA Ornithine aminotransferase complexed with 5-fluoromethylornithine (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 4:404/404 of 2oatA

query
sites
2oatA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

V

L

L

F

F

I

I

A

A

D
|
D

E

E

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F142 (= F146), E195 (= E200), D228 (= D233), Q231 (= Q236), K257 (= K274), T287 (= T304), R378 (= R398)
binding 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate: Y20 (= Y24), G107 (= G111), V108 (≠ A112), F142 (= F146), W143 (≠ H147), R145 (= R149), E195 (= E200), E200 (= E205), D228 (= D233), Q231 (= Q236), K257 (= K274), G285 (= G302), T287 (= T304)

8ez1B Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 8ez1B

query
sites
8ez1B

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y54), T104 (= T110), G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), E198 (= E205), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274), R376 (= R398)

8ez1A Human ornithine aminotransferase (hoat) co-crystallized with its inactivator 3-amino-4-fluorocyclopentenecarboxylic acid (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 8ez1A

query
sites
8ez1A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y54), G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), E198 (= E205), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274), R376 (= R398)

7tfpC Human ornithine aminotransferase cocrystallized with its inhibitor, (1s,3s)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 7tfpC

query
sites
7tfpC

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

binding (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid: Y18 (= Y24), Y48 (= Y54), F140 (= F146), E198 (= E205), K255 (= K274), R376 (= R398)
binding pyridoxal-5'-phosphate: G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274)

7lk0A Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor - (s)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (ss-1-148) (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 7lk0A

query
sites
7lk0A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

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 (= Y24), Y48 (= Y54), G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), E198 (= E205), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274)

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)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 7jx9A

query
sites
7jx9A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y
x
F

T
x
M

K
x
P

G

G

F
|
F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E
x
R

A
|
A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F140 (= F146), E193 (= E200), D226 (= D233), Q229 (= Q236), K255 (= K274), T285 (= T304), R376 (= R398)
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 (= Y24), Y48 (= Y54), G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), E198 (= E205), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274), R376 (= R398)
binding N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine: S149 (= S155), F163 (≠ Y169), M164 (≠ T170), P165 (≠ K171), F167 (= F173), R180 (≠ E186), A181 (= A187)

6v8dA Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (gaba) as selective ornithine aminotransferase inactivators
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 6v8dA

query
sites
6v8dA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F140 (= F146), E193 (= E200), D226 (= D233), Q229 (= Q236), K255 (= K274), T285 (= T304), R376 (= R398)
binding (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid: Y48 (= Y54), K255 (= K274)
binding pyridoxal-5'-phosphate: T104 (= T110), G105 (= G111), V106 (≠ A112), W141 (≠ H147), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274)

2canA Human ornithine aminotransferase complexed with l-canaline (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 2canA

query
sites
2canA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F140 (= F146), E193 (= E200), D226 (= D233), Q229 (= Q236), K255 (= K274), T285 (= T304), R376 (= R398)
binding canaline: Y18 (= Y24), F140 (= F146), R143 (= R149), G283 (= G302), S284 (= S303)
binding pyridoxal-5'-phosphate: G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), D226 (= D233), I228 (≠ V235), Q229 (= Q236), K255 (= K274)

1gbnB Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 1gbnB

query
sites
1gbnB

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F140 (= F146), E193 (= E200), D226 (= D233), Q229 (= Q236), K255 (= K274), T285 (= T304), R376 (= R398)
binding gabaculine: Y18 (= Y24), Y48 (= Y54), F140 (= F146), E198 (= E205), K255 (= K274)
binding pyridoxal-5'-phosphate: G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), D226 (= D233), I228 (≠ V235), K255 (= K274)

1gbnA Human ornithine aminotransferase complexed with the neurotoxin gabaculine (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 2:402/402 of 1gbnA

query
sites
1gbnA

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

active site: F140 (= F146), E193 (= E200), D226 (= D233), Q229 (= Q236), K255 (= K274), T285 (= T304), R376 (= R398)
binding 3-aminobenzoic acid: Y18 (= Y24), Y48 (= Y54), E198 (= E205), K255 (= K274)
binding pyridoxal-5'-phosphate: G105 (= G111), V106 (≠ A112), F140 (= F146), W141 (≠ H147), D226 (= D233), I228 (≠ V235), K255 (= K274)

7ta0A Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid (see paper)
58% identity, 98% coverage: 8:424/426 of query aligns to 3:403/403 of 7ta0A

query
sites
7ta0A

T

T

S

S

Q

D

E

D

A

I

M

F

D

E

L

R

E

E

N

Y

K

K

Y

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

Y

Y

V

L

W

W

D

D

V

V

E

E

G

G

K

R

K

K

Y

Y

Y

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

R

K

I

I

I

V

E

N

A

A

M

L

T

K

N

S

Q

Q

A

V

K

D

T

K

L

L

T

T

L

L

T

T

S

S

R

R

A

A

F

F

Y

Y

N

N

D

N

M

V

L

L

G

G

K

E

F

Y

E

E

K

E

Y

Y

A

I

T

T

E

K

T

L

F

F

G

N

F

Y

D

H

K

K

L

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

D

Q

E

K

N

Y

E

K

A

A

E

K

I

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

P

P

V

T

A

S

R

Y

K

D

N

G

F

F

G

G

P

P

Y

F

T

M

K

P

G

G

F

F

I

D

K

I

I

I

E

P

Y

Y

N

N

N

D

L

L

K

P

A

A

L

L

E

E

E

R

A

A

L

L

S

-

S

Q

N

D

N

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

T

D

E

P

G

G

Y

Y

L

L

A

M

A

G

A

V

K

R

A

E

L

L

C

C

E

T

K

R

Y

H

N

Q

V

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

-

T

-

C

-

A

-

D

-

K

-

H

-

C

-

S

-

G

D

T

Y

P

E

E

N

V

V

K

R

A

P

D

D

I

I

L

V

I

L

L

L

G

G

K
|
K

A

A

L

L

S

S

G

G

A

L

Y

Y

P

P

V

V

S

S

A

A

V

V

L

L

A

C

N

D

A

D

I

I

M

M

D

L

V

T

I

I

K

K

P

P

G

G

N

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

I

V

G

A

M

I

A

A

L

L

E

E

V

V

I

L

K

E

D

E

E

E

N

N

L

L

A

A

E

E

N

N

A

A

Q

D

V

K

L

L

G

G

E

I

L

I

F

L

R

R

A

N

E

E

I

L

A

M

K

K

F

L

I

-

E

-

T

P

S

S

N

D

I

V

V

V

N

T

G

A

V

V

R

R

G

G

K

K

G

G

L

L

N

N

A

A

I

I

L

V

I

I

N

K

D

E

T

T

E

K

D

D

S

W

D

D

T

-

A

A

W

W

N

K

I

V

C

C

M

L

A

R

L

L

R

R

D

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

M

I

T

K

K

E

E

D

Q

E

L

L

L

R

D

E

C

S

V

I

S

E

I

I

T

N

K

K

T

T

L

I

A

L

Q

S

F

F

binding 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid: Y19 (= Y24), Y49 (= Y54), G106 (= G111), V107 (≠ A112), F141 (= F146), W142 (≠ H147), D227 (= D233), I229 (≠ V235), Q230 (= Q236), K256 (= K274), S285 (= S303), T286 (= T304)

Query Sequence

>WP_055436832.1 NCBI__GCF_001418085.1:WP_055436832.1
MAVLEQLTSQEAMDLENKYGAHNYHPLPVVLSRGEGVYVWDVEGKKYYDFLSAYSAVNQG
HCHPRIIEAMTNQAKTLTLTSRAFYNDMLGKFEKYATETFGFDKLLPMNTGAEAVETALK
LCRKWAYEVKGIDENEAEIIVCENNFHGRTTTIISFSNDPVARKNFGPYTKGFIKIEYNN
LKALEEALSSNNNIAGFLVEPIQGEAGVYVPTEGYLAAAKALCEKYNVLFIADEVQTGIA
RTGRLLATCGNCTCADKHCSGTPEVKADILILGKALSGGAYPVSAVLANNAIMDVIKPGN
HGSTFGGNPVAAAIGMAALEVIKDENLAENAQVLGELFRAEIAKFIETSNIVNGVRGKGL
LNAILINDTEDSDTAWNICMALRDNGLLAKPTHGNIIRFAPPLVMTKEQLLDCVSIITKT
LAQFEK

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