SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_005348665.1 NCBI__GCF_000173975.1:WP_005348665.1 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)

3uyyB Crystal structures of branched-chain aminotransferase from deinococcus radiodurans complexes with alpha-ketoisocaproate and l-glutamate suggest its radio-resistance for catalysis (see paper)
53% identity, 97% coverage: 5:340/346 of query aligns to 2:337/337 of 3uyyB

query
sites
3uyyB

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active site: K181 (= K184)
binding pyridoxal-5'-phosphate: R79 (= R82), R171 (= R174), K181 (= K184), Y186 (= Y189), E217 (= E220), G219 (= G222), A220 (≠ G223), A221 (= A224), S244 (= S246), I245 (= I247), T246 (= T248), G282 (= G284), T283 (= T285)

3uzoA Crystal structures of branched-chain aminotransferase from deinococcus radiodurans complexes with alpha-ketoisocaproate and l-glutamate suggest its radio-resistance for catalysis (see paper)
53% identity, 97% coverage: 6:340/346 of query aligns to 1:335/335 of 3uzoA

query
sites
3uzoA

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active site: K179 (= K184)
binding glutamic acid: Y48 (= Y53), F53 (= F58), R122 (= R127), V134 (= V139), Y152 (= Y157), T281 (= T285), A282 (= A286)
binding pyridoxal-5'-phosphate: R77 (= R82), K179 (= K184), Y184 (= Y189), E215 (= E220), G217 (= G222), A218 (≠ G223), A219 (= A224), N220 (= N225), L240 (= L244), S242 (= S246), I243 (= I247), T244 (= T248), G280 (= G284), T281 (= T285)

3uzbA Crystal structures of branched-chain aminotransferase from deinococcus radiodurans complexes with alpha-ketoisocaproate and l-glutamate suggest its radio-resistance for catalysis (see paper)
53% identity, 97% coverage: 6:340/346 of query aligns to 1:335/335 of 3uzbA

query
sites
3uzbA

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active site: K179 (= K184)
binding 2-oxo-4-methylpentanoic acid: Y120 (= Y125), K179 (= K184), T281 (= T285), A282 (= A286)
binding pyridoxal-5'-phosphate: R77 (= R82), K179 (= K184), Y184 (= Y189), E215 (= E220), G217 (= G222), A218 (≠ G223), A219 (= A224), N220 (= N225), S242 (= S246), I243 (= I247), T244 (= T248), G280 (= G284), T281 (= T285)

6jifB Crystal structures of branched-chain aminotransferase from pseudomonas sp. Uw4 (see paper)
51% identity, 96% coverage: 6:337/346 of query aligns to 1:331/334 of 6jifB

query
sites
6jifB

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L

L

D

D

P

P

A

M

T

T

R

H

T

T

K

K

V

I

E

E

E
|
E

T

V

G

G

G
x
S

A
|
A

N
|
N

F

F

I

F

F

G

I

I

T

T

K

H

D

D

G

N

K

K

F

F

V

V

T

T

P

P

K

N

S

S

D

P

S

S

I

V

L
|
L

P

P

S
x
G

I
|
I

T
|
T

R

R

R

L

S

S

L

L

M

I

Y

E

I

L

A

A

E

K

H

T

Y

R

L

L

G

G

M

M

E

E

V

V

E

V

H

E

R

G

E

D

V

V

R

F

F

I

D

D

E

K

V

L

K

S

D

D

F

F

A

K

E

E

C

A

G

G

L

A

C

C

G
|
G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

I

G

G

K

G

I

I

V

-

D

D

H

Y

G

N

K

D

E

H

I

L

C

H

F

V

P

F

S

H

G

S

M

E

E

T

E

E

M

V

G

G

P

P

V

V

T

T

K

Q

K

K

L

L

Y

Y

D

K

T

E

L

L

T

T

G

G

I

V

Q

Q

M

T

G

G

H

D

I

I

E

E

A

A

P

P

E

A

G

G

W

W

I

I

binding pyridoxal-5'-phosphate: R77 (= R82), R169 (= R174), K179 (= K184), Y184 (= Y189), E215 (= E220), S218 (≠ G223), A219 (= A224), N220 (= N225), L239 (= L244), G241 (≠ S246), I242 (= I247), T243 (= T248), G279 (= G284), T280 (= T285)

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
40% identity, 90% coverage: 31:340/346 of query aligns to 17:334/335 of 3ht5A

query
sites
3ht5A

W

W

D

H

D

N

G

A

T

R

L

V

T

I

E

P

D

Y

A

G

T

P

I

I

T

E

L

L

N

D

E

P

C

S

A

A

G

I

V

V

F

L

Q

H

Y

Y

A

A

Q

Q

T

E

C

V

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

T

R

T

W

E

A

N

D

G

G

D

S

I

I

V

V

C

S

F

F

R

R

P

A

D

D

L

A

N

N

A

A

R
|
R

M

L

A

R

D

S

S

S

C

A

R

R

L

L

E

A

M

I

P

P

V

E

F

L

P

P

E

D

D

A

K

V

F

F

V

I

E

E

A

S

V

L

V

R

E

Q

T

L

V

I

K

A

A

V

N

D

A

K

G

A

Y

W

V

V

A

P

P

G

Y

A

G

G

S

G

G

E

A

E

T

A

L

L

Y

Y

I

L

R

R

P

P

Y

F

M

I

F

F

G

A

S

T

N

E

P

P

V

G

I

L

G

G

V

V

K

R

P

P

A

A

D

T

E

Q

Y

Y

Q

R

F

Y

R

L

I

L

F

I

V

A

T

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

A

I

K

A

P

P

I

V

T

S

I

V

R

W

V

V

S

S

-

T

D

E

F

Y

D

V

R

R

A

A

A

C

P

P

N

G

G

G

T

T

G

G

H

A

I

A

K
|
K

A

F

G

G

L

G

N

N

Y
|
Y

A

A

M

A

S

S

L

L

H

L

A

A

I

Q

V

A

D

E

A

A

H

A

N

E

Q

N

G

G

Y

C

D

D

E

Q

N

V

M

V

Y

W

L

L

D

D

P

A

A

V

T

E

R

R

T

R

K

Y

V

I

E

E

E
|
E

T

M

G

G

G
|
G

A
x
M

N
|
N

F

I

I

F

F

F

I

V

T

L

K

G

D

S

G

G

-

G

-

S

-

A

K

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

D

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

R

R

R

D

S

S

L

L

M

L

Y

Q

I

L

A

A

E

I

H

D

Y

-

L

A

G

G

M

F

E

A

V

V

E

E

H

E

R

R

E

R

V

I

R

D

F

I

D

D

E

E

V

W

K

Q

D

K

F

K

A

A

E

A

C

A

G

G

-

E

-

I

-

T

-

E

-

V

-

F

L

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

A

K

R

I

V

V

R

D

H

H

G

G

A

K

S

E

E

I

F

C

R

F

I

P

A

S

D

G

G

M

-

E

-

E

Q

M

P

G

G

P

E

V

V

T

T

K

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

M

R

G

G

H

T

I

F

E

A

A

D

P

T

E

H

G

G

W

W

I

M

K

A

T

R

I

L

active site: K171 (= K184)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R82), K171 (= K184), Y176 (= Y189), E207 (= E220), G210 (= G223), M211 (≠ A224), N212 (= N225), L235 (= L244), G237 (≠ S246), I238 (= I247), T239 (= T248), T281 (= T285)

3dtgA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
40% identity, 90% coverage: 28:340/346 of query aligns to 42:362/363 of 3dtgA

query
sites
3dtgA

D

D

G

E

A

G

W

W

D

H

D

N

G

A

T

Q

L

V

T

I

E

P

D

Y

A

G

T

P

I

I

T

Q

L

L

N

D

E

P

C

S

A

A

G

I

V

V

F

L

Q

H

Y

Y

A

G

Q

Q

T

E

C

I

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

Y

T

R

T

W

E

A

N

D

G

G

D

S

I

I

V

V

C

S

F

F

R

R

P

P

D

E

L

A

N

N

A

A

R
|
R

M

L

A

Q

D

S

S

S

C

A

R

R

L

L

E

A

M

I

P

P

V

E

F

L

P

P

E

E

D

E

K

V

F

F

V

I

E

E

A

S

V

L

V

R

E

Q

T

L

V

I

K

A

A

V

N

D

A

E

G

K

Y

W

V

V

A

P

P

P

Y

A

G

G

S

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

Y

F

M

V

F

I

G

A

S

T

N

E

P

P

V

G

I

L

G

G

V

V

K

R

P

P

A

S

D

N

E

E

Y

Y

Q

R

F

Y

R

L

I

L

F

I

V

A

T

S

P

P

V

A

G

G

P

A

Y
|
Y

F

F

K

K

G

G

A

I

K

K

P

P

I

V

T

S

I

V

R

W

V

L

S

S

-

H

D

E

F

Y

D

V

R
|
R

A

A

A

S

P

P

N

G

G

G

T

T

G

G

H

A

I

A

K
|
K

A

F

G

G

L

G

N

N

Y
|
Y

A

A

M

A

S

S

L

L

H

L

A

A

I

Q

V

A

D

Q

A

A

H

A

N

E

Q

M

G

G

Y

C

D

D

E

Q

N

V

M

V

Y

W

L

L

D

D

P

A

A

I

T

E

R

R

T

R

K

Y

V

V

E

E

E
|
E

T

M

G

G

G
|
G

A

M

N

N

F

L

I

F

F

F

I

V

T

F

K

G

D

S

G

G

-

G

-

S

-

A

K

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

D

G

S

S

I

L

L
|
L

P

P

S

G

I
|
I

T
|
T

R

R

R

D

S

S

L

L

M

L

Y

Q

I

L

A

A

E

T

H

D

Y

-

L

A

G

G

M

F

E

A

V

V

E

E

H

E

R

R

E

K

V

I

R

D

F

V

D

D

E

E

V

W

K

Q

D

K

F

K

A

A

E

G

C

A

G

G

-

E

-

I

-

T

-

E

-

V

-

F

L

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

S

K

H

I

V

V

K

D

H

H

H

G

D

K

G

E

E

I

F

C

T

F

I

P

A

S

D

G

G

M

-

E

-

E

Q

M

P

G

G

P

E

V

I

T

T

K

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

M

R

G

G

H

T

I

F

E

A

A

D

P

T

E

H

G

G

W

W

I

M

K

A

T

R

I

L

active site: K199 (= K184)
binding O-benzylhydroxylamine: F72 (= F58), Y171 (= Y157), Y204 (= Y189)
binding pyridoxal-5'-phosphate: R96 (= R82), R189 (= R174), K199 (= K184), Y204 (= Y189), E235 (= E220), G238 (= G223), L263 (= L244), I266 (= I247), T267 (= T248), T309 (= T285)

3dtfA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design (see paper)
40% identity, 90% coverage: 28:340/346 of query aligns to 42:362/363 of 3dtfA

query
sites
3dtfA

D

D

G

E

A

G

W

W

D

H

D

N

G

A

T

Q

L

V

T

I

E

P

D

Y

A

G

T

P

I

I

T

Q

L

L

N

D

E

P

C

S

A

A

G

I

V

V

F

L

Q

H

Y

Y

A

G

Q

Q

T

E

C

I

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

T

R

T

W

E

A

N

D

G

G

D

S

I

I

V

V

C

S

F

F

R

R

P

P

D

E

L

A

N

N

A

A

R
|
R

M

L

A

Q

D

S

S

S

C

A

R

R

L

L

E

A

M

I

P

P

V

E

F

L

P

P

E

E

D

E

K

V

F

F

V

I

E

E

A

S

V

L

V

R

E

Q

T

L

V

I

K

A

A

V

N

D

A

E

G

K

Y

W

V

V

A

P

P

P

Y

A

G

G

S

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

Y

F

M

V

F

I

G

A

S

T

N

E

P

P

V

G

I

L

G

G

V

V

K

R

P

P

A

S

D

N

E

E

Y

Y

Q

R

F

Y

R

L

I

L

F

I

V

A

T

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

A

I

K

K

P

P

I

V

T

S

I

V

R

W

V

L

S

S

-

H

D

E

F

Y

D

V

R

R

A

A

A

S

P

P

N

G

G

G

T

T

G

G

H

A

I

A

K
|
K

A

F

G

G

L

G

N

N

Y

Y

A

A

M

A

S

S

L

L

H

L

A

A

I

Q

V

A

D

Q

A

A

H

A

N

E

Q

M

G

G

Y

C

D

D

E

Q

N

V

M

V

Y

W

L

L

D

D

P

A

A

I

T

E

R

R

T

R

K

Y

V

V

E

E

T

M

G

G

A

M

N

N

F

L

I

F

F

F

I

V

T

F

K

G

D

S

G

G

-

G

-

S

-

A

K

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

D

G

S

S

I

L

L

L

P

P

S

G

I
|
I

T
|
T

R

R

R

D

S

S

L

L

M

L

Y

Q

I

L

A

A

E

T

H

D

Y

-

L

A

G

G

M

F

E

A

V

V

E

E

H

E

R

R

E

K

V

I

R

D

F

V

D

D

E

E

V

W

K

Q

D

K

F

K

A

A

E

G

C

A

G

G

-

E

-

I

-

T

-

E

-

V

-

F

L

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

S

K

H

I

V

V

K

D

H

H

H

G

D

K

G

E

E

I

F

C

T

F

I

P

A

S

D

G

G

M

-

E

-

E

Q

M

P

G

G

P

E

V

I

T

T

K

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

M

R

G

G

H

T

I

F

E

A

A

D

P

T

E

H

G

G

W

W

I

M

K

A

T

R

I

L

active site: K199 (= K184)
binding sulfate ion: R96 (= R82), I266 (= I247), T267 (= T248), T309 (= T285)

A0R066 Branched-chain-amino-acid aminotransferase; BCAT; EC 2.6.1.42 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see 2 papers)
40% identity, 90% coverage: 28:340/346 of query aligns to 47:367/368 of A0R066

query
sites
A0R066

D

D

G

E

A

G

W

W

D

H

D

N

G

A

T

Q

L

V

T

I

E

P

D

Y

A

G

T

P

I

I

T

Q

L

L

N

D

E

P

C

S

A

A

G

I

V

V

F

L

Q

H

Y

Y

A

G

Q

Q

T

E

C

I

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

T

R

T

W

E

A

N

D

G

G

D

S

I

I

V

V

C

S

F

F

R

R

P

P

D

E

L

A

N

N

A

A

R
|
R

M

L

A

Q

D

S

S

S

C

A

R

R

L

L

E

A

M

I

P

P

V

E

F

L

P

P

E

E

D

E

K

V

F

F

V

I

E

E

A

S

V

L

V

R

E

Q

T

L

V

I

K

A

A

V

N

D

A

E

G

K

Y

W

V

V

A

P

P

P

Y

A

G

G

S

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

Y

F

M

V

F

I

G

A

S

T

N

E

P

P

V

G

I

L

G

G

V

V

K

R

P

P

A

S

D

N

E

E

Y

Y

Q

R

F

Y

R

L

I

L

F

I

V

A

T

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

A

I

K

K

P

P

I

V

T

S

I

V

R

W

V

L

S

S

-

H

D

E

F

Y

D

V

R

R

A

A

A

S

P

P

N

G

G

G

T

T

G

G

H

A

I

A

K

K

A

F

G

G

L

G

N

N

Y
|
Y

A

A

M

A

S

S

L

L

H

L

A

A

I

Q

V

A

D

Q

A

A

H

A

N

E

Q

M

G

G

Y

C

D

D

E

Q

N

V

M

V

Y

W

L

L

D

D

P

A

A

I

T

E

R

R

T

R

K

Y

V

V

E

E

T

M

G

G

A

M

N

N

F

L

I

F

F

F

I

V

T

F

K

G

D

S

G

G

-

G

-

S

-

A

K

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

D

G

S

S

I

L

L

L

P

P

S

G

I

I

T

T

R

R

R

D

S

S

L

L

M

L

Y

Q

I

L

A

A

E

T

H

D

Y

-

L

A

G

G

M

F

E

A

V

V

E

E

H

E

R

R

E

K

V

I

R

D

F

V

D

D

E

E

V

W

K

Q

D
x
K

F

K

A

A

E

G

C

A

G

G

-

E

-

I

-

T

-

E

-

V

-

F

L

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

S

K

H

I

V

V

K

D

H

H

H

G

D

K

G

E

E

I

F

C

T

F

I

P

A

S

D

G

G

M

-

E

-

E

Q

M

P

G

G

P

E

V

I

T

T

K

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

M

R

G

G

H

T

I

F

E

A

A

D

P

T

E

H

G

G

W

W

I

M

K

A

T

R

I

L

R101 (= R82) binding pyridoxal 5'-phosphate
Y209 (= Y189) binding pyridoxal 5'-phosphate
K299 (≠ D276) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T314 (= T285) binding pyridoxal 5'-phosphate

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
39% identity, 90% coverage: 31:340/346 of query aligns to 16:325/326 of 5u3fA

query
sites
5u3fA

W

W

D

H

D

N

G

A

T

R

L

V

T

I

E

P

D

Y

A

G

T

P

I

I

T

E

L

L

N

D

E

P

C

S

A

A

G

I

V

V

F

L

Q

H

Y

Y

A

A

Q

Q

T

E

C

V

F

F

E

E

G
|
G

L

L

K

K

A

A

Y

Y

T

R

T

W

E

A

N

D

G

G

D

S

I

I

V

V

C

S

F

F

R

R

P

A

D

D

L

A

N

N

A

A

R
|
R

M

L

A

R

D

S

S

S

C

A

R

R

L

L

E

A

M

I

P

P

V

E

F

L

P

P

E

D

D

A

K

V

F

F

V

I

E

E

A

S

V

L

V

R

E

Q

T

L

V

I

K

A

A

V

N

D

A

K

G

A

Y

W

V

V

A

P

P

G

Y

A

G

G

S

G

G

E

A

E

T

A

L

L

Y
|
Y

I

L

R

R

P

P

Y

F

M

I

F

F

G

A

S

T

N

E

P

P

V

G

I

L

G

G

V

V

K

R

P

P

A

A

D

T

E

Q

Y

Y

Q

R

F

Y

R

L

I

L

F

I

V

A

T

S

P

P

V

-

G

-

P

-

Y

-

F

-

K

-

G

-

A

A

K

A

P

P

I

V

T

S

I

V

R

W

V

V

S

S

-

T

D

E

F

Y

D

V

R

R

A

A

A

C

P

P

N

G

G

G

T

T

G

G

H

A

I

A

K
|
K

A

F

G

G

L

G

N

N

Y
|
Y

A

A

M

A

S

S

L

L

H

L

A

A

I

Q

V

A

D

E

A

A

H

A

N

E

Q

N

G

G

Y

C

D

D

E

Q

N

V

M

V

Y

W

L

L

D

D

P

A

A

V

T

E

R

R

T

R

K

Y

V

I

E

E

E
|
E

T

M

G

G

G
|
G

A
x
M

N
|
N

F

I

I

F

F

F

I

V

T

L

K

G

D

S

G

G

-

G

-

S

-

A

K

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

D

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

R

R

R

D

S

S

L

L

M

L

Y

Q

I

L

A

A

E

I

H

D

Y

-

L

A

G

G

M

F

E

A

V

V

E

E

H

E

R

R

E

R

V

I

R

D

F

I

D

D

E

E

V

W

K

Q

D

K

F

K

A

A

E

A

C

A

G

G

-

E

-

I

-

T

-

E

-

V

-

F

L

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

A

K

R

I

V

V

R

D

H

H

G

G

A

K

S

E

E

I

F

C

R

F

I

P

A

S

D

G

G

M

-

E

-

E

Q

M

P

G

G

P

E

V

V

T

T

K

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

M

R

G

G

H

T

I

F

E

A

A

D

P

T

E

H

G

G

W

W

I

M

K

A

T

R

I

L

active site: K162 (= K184)
binding (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate: G45 (= G60), R67 (= R82), Y110 (= Y125), K162 (= K184), Y167 (= Y189), E198 (= E220), G201 (= G223), M202 (≠ A224), N203 (= N225), L226 (= L244), G228 (≠ S246), I229 (= I247), T230 (= T248), T272 (= T285)

7nyaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor bay-069 (compound 36) (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 46:356/364 of 7nyaA

query
sites
7nyaA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y
|
Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N

N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R97 (= R82), R190 (= R174), K200 (= K184), Y205 (= Y189), E235 (= E220), T238 (≠ G223), M239 (≠ A224), L264 (= L244), G266 (≠ S246), V267 (≠ I247), T268 (= T248), G310 (= G284), T311 (= T285)
binding 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione: Y68 (= Y53), F73 (= F58), Y139 (= Y125), G152 (= G138), V153 (= V139), Y171 (= Y157), Q212 (≠ I196), Q222 (≠ E206), T238 (≠ G223), A312 (= A286)

Sites not aligning to the query:

binding 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione: 27

7ny9A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 38 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 46:356/364 of 7ny9A

query
sites
7ny9A

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y

Y

A

A

Q

V

T

E

C

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D
x
Q

E
x
Q

N
x
V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N
|
N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G

G

T
|
T

A

A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R97 (= R82), R190 (= R174), K200 (= K184), Y205 (= Y189), E235 (= E220), T238 (≠ G223), M239 (≠ A224), N240 (= N225), L264 (= L244), G266 (≠ S246), V267 (≠ I247), T268 (= T248), T311 (= T285)
binding 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide: Y139 (= Y125), G152 (= G138), V153 (= V139), Y171 (= Y157), Q212 (≠ I196), Q221 (≠ D205), Q222 (≠ E206), V223 (≠ N207), T238 (≠ G223)

Sites not aligning to the query:

binding 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide: 27

7ny2A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 35 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 46:356/364 of 7ny2A

query
sites
7ny2A

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y

Y

A

A

Q

V

T

E

C

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R

R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N

N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G

G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R97 (= R82), K200 (= K184), Y205 (= Y189), E235 (= E220), T238 (≠ G223), M239 (≠ A224), L264 (= L244), G266 (≠ S246), V267 (≠ I247), T268 (= T248), T311 (= T285)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile: Y139 (= Y125), G152 (= G138), V153 (= V139), Y171 (= Y157), Q212 (≠ I196), Q222 (≠ E206), A312 (= A286)

Sites not aligning to the query:

binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile: 27

7nwmA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 12 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:357/365 of 7nwmA

query
sites
7nwmA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y
|
Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N

N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R82), R191 (= R174), K201 (= K184), Y206 (= Y189), E236 (= E220), T239 (≠ G223), M240 (≠ A224), L265 (= L244), G267 (≠ S246), V268 (≠ I247), T269 (= T248), G311 (= G284), T312 (= T285)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y53), F74 (= F58), Y140 (= Y125), G153 (= G138), V154 (= V139), Y172 (= Y157), Q213 (≠ I196), Q223 (≠ E206), T239 (≠ G223), A313 (= A286)

Sites not aligning to the query:

binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile: 28

7nweA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 10 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:357/365 of 7nweA

query
sites
7nweA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y
|
Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R

R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N

N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R82), K201 (= K184), Y206 (= Y189), E236 (= E220), T239 (≠ G223), M240 (≠ A224), L265 (= L244), G267 (≠ S246), V268 (≠ I247), T269 (= T248), G311 (= G284), T312 (= T285)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y53), F74 (= F58), Y140 (= Y125), G153 (= G138), V154 (= V139), Y172 (= Y157), Q213 (≠ I196), Q223 (≠ E206), T239 (≠ G223), A313 (= A286)

Sites not aligning to the query:

binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile: 28

7nwcA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 2 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:357/365 of 7nwcA

query
sites
7nwcA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y

Y

A

A

Q

V

T

E

C

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G

G

V

V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I

Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N
|
N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R82), R191 (= R174), K201 (= K184), Y206 (= Y189), E236 (= E220), T239 (≠ G223), M240 (≠ A224), N241 (= N225), L265 (= L244), G267 (≠ S246), V268 (≠ I247), T269 (= T248), G311 (= G284), T312 (= T285)
binding 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione: Y172 (= Y157), Q223 (≠ E206), T239 (≠ G223), A313 (= A286)

Sites not aligning to the query:

binding 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione: 28

7nwbA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 1 (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:357/365 of 7nwbA

query
sites
7nwbA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y
|
Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I
x
Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N

N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R82), R191 (= R174), K201 (= K184), Y206 (= Y189), E236 (= E220), T239 (≠ G223), M240 (≠ A224), L265 (= L244), G267 (≠ S246), V268 (≠ I247), T269 (= T248), G311 (= G284), T312 (= T285)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y53), F74 (= F58), Y140 (= Y125), G153 (= G138), V154 (= V139), Y172 (= Y157), Q213 (≠ I196), Q223 (≠ E206), A313 (= A286)

Sites not aligning to the query:

binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: 28

7nwaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and compound a (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:357/365 of 7nwaA

query
sites
7nwaA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y

Y

A

A

Q

V

T

E

C

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R
|
R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F
|
F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I
x
V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R

R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I

Q

V

C

D

E

A

A

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

E

R

D

T

H

K

Q

V

I

E

T

E
|
E

T
x
V

G

G

G
x
T

A
x
M

N
|
N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S
x
C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R82), K201 (= K184), Y206 (= Y189), E236 (= E220), T239 (≠ G223), N241 (= N225), L265 (= L244), G267 (≠ S246), V268 (≠ I247), T269 (= T248), T312 (= T285)
binding 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile: R142 (= R127), G153 (= G138), V154 (= V139), Y172 (= Y157), F173 (= F158), V181 (≠ I165), Q223 (≠ E206), V237 (≠ T221), T239 (≠ G223), M240 (≠ A224), G311 (= G284), A313 (= A286), C317 (≠ S290)

2abjA Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, c16h10n2o4f3scl, and pyridoxal 5' phosphate. (see paper)
31% identity, 87% coverage: 31:332/346 of query aligns to 48:359/366 of 2abjA

query
sites
2abjA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y

Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

Y

A

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G

G

V

V

K

K

P

K

A

P

D

T

E

K

Y

A

Q

L

F

L

R

F

I

V

F

L

V

L

T

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

A

T

-

F

K

N

P

P

I

V

T

S

I

L

R

W

V

A

S

N

-

P

D

K

F

Y

D

V

R
|
R

A

A

A

W

P

K

N

G

G

G

T

T

G

G

H

D

I

C

K
|
K

A

M

G

G

L

G

N

N

Y
|
Y

A

G

M

S

S

S

L

L

H

F

A

A

I

Q

V

C

D

E

A

D

H

V

N

D

Q

N

G

G

Y

C

D

Q

E
x
Q

N

V

M

L

Y

W

L

L

D

Y

P

-

A

G

T

R

R

D

T

H

K

Q

V

I

E

T

E
|
E

T

V

G

G

G
x
T

A
x
M

N
|
N

F

L

I

F

-

L

-

Y

F

W

I

I

T

N

K

E

D

D

G

G

-

E

K

E

F

L

V

A

T

T

P

P

K

P

S

L

D

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

R

R

S

C

L

I

M

L

Y

D

I

L

A

A

E

H

H

Q

Y

W

L

G

G

E

M

F

E

K

V

V

E

S

H

E

R

R

E

Y

V

L

R

T

F

M

D

D

E

D

V

L

K

T

D

T

F

A

A

L

E

E

C

G

G

N

L

R

C

V

-

R

-

E

-

M

-

F

-

S

G
|
G

T
|
T

A
|
A

A
x
C

V

V

I

V

S

C

P

P

V

V

G

S

K

D

I

I

V

L

D

Y

H

K

G

G

K

E

E

T

I

I

C

H

F

I

P

P

S

T

G

-

M

M

E

E

E

N

M

G

G

P

P

K

V

L

T

A

K

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

M

Y

G

G

H

R

I

E

E

E

A

S

active site: K202 (= K184)
binding n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide: F75 (= F58), Y141 (= Y125), Y173 (= Y157), K202 (= K184), Q224 (≠ E206), T240 (≠ G223), M241 (≠ A224), G312 (= G284), A314 (= A286), C315 (≠ A287)
binding pyridoxal-5'-phosphate: R99 (= R82), R192 (= R174), K202 (= K184), Y207 (= Y189), E237 (= E220), T240 (≠ G223), M241 (≠ A224), N242 (= N225), L266 (= L244), G268 (≠ S246), V269 (≠ I247), T270 (= T248), T313 (= T285)

Sites not aligning to the query:

binding n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide: 29

7nxoA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 24(5-f) (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 46:353/361 of 7nxoA

query
sites
7nxoA

W

W

D

E

D

K

G

P

T

H

L

I

T

K

E

P

D

L

A

Q

T

N

I

L

T

S

L

L

N

H

E

P

C

G

A

S

G

S

V

A

F

L

Q

H

Y
|
Y

A

A

Q

V

T

E

C

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

T

R

T

G

E

V

N

D

G

N

D

K

I

I

V

R

C

L

F

F

R

Q

P

P

D

N

L

L

N

N

A

M

A

D

R
|
R

M

M

A

Y

D

R

S

S

C

A

R

V

R

R

L

A

E

T

M

L

P

P

V

V

F

F

P

D

E

K

D

E

K

E

F

L

V

L

E

E

A

C

V

I

V

Q

E

Q

T

L

V

V

K

K

A

L

N

D

A

Q

G

E

Y

W

V

V

A

-

P

P

Y

Y

G

S

S

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R

R

P

P

Y

T

M

F

F

I

G

G

S

T

N

E

P

P

V

S

I

L

G
|
G

V
|
V

K

K

P

K

A

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V

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G

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binding pyridoxal-5'-phosphate: R97 (= R82), K197 (= K184), Y202 (= Y189), E232 (= E220), T235 (≠ G223), M236 (≠ A224), N237 (= N225), L261 (= L244), G263 (≠ S246), V264 (≠ I247), T265 (= T248), T308 (= T285)
binding 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: Y68 (= Y53), F73 (= F58), G152 (= G138), V153 (= V139), Y171 (= Y157), F172 (= F158), Q209 (≠ I196), Q218 (≠ D205), Q219 (≠ E206), T235 (≠ G223)

Sites not aligning to the query:

binding 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: 27

7nxnA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 21(5-f) (see paper)
32% identity, 87% coverage: 31:331/346 of query aligns to 47:354/362 of 7nxnA

query
sites
7nxnA

W

W

D

E

D

K

G

P

T

H

L

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K

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D

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F

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binding pyridoxal-5'-phosphate: R98 (= R82), R188 (= R174), K198 (= K184), Y203 (= Y189), E233 (= E220), T236 (≠ G223), M237 (≠ A224), N238 (= N225), L262 (= L244), G264 (≠ S246), V265 (≠ I247), T266 (= T248), T309 (= T285)
binding 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y53), F74 (= F58), G153 (= G138), V154 (= V139), Y172 (= Y157), Q210 (≠ I196), Q219 (≠ D205), Q220 (≠ E206), T236 (≠ G223)

Sites not aligning to the query:

binding 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: 28

Query Sequence

>WP_005348665.1 NCBI__GCF_000173975.1:WP_005348665.1
MEKKNINWGELGFSYQQTEKRFVANFKDGAWDDGTLTEDATITLNECAGVFQYAQTCFEG
LKAYTTENGDIVCFRPDLNAARMADSCRRLEMPVFPEDKFVEAVVETVKANAGYVAPYGS
GATLYIRPYMFGSNPVIGVKPADEYQFRIFVTPVGPYFKGGAKPITIRVSDFDRAAPNGT
GHIKAGLNYAMSLHAIVDAHNQGYDENMYLDPATRTKVEETGGANFIFITKDGKFVTPKS
DSILPSITRRSLMYIAEHYLGMEVEHREVRFDEVKDFAECGLCGTAAVISPVGKIVDHGK
EICFPSGMEEMGPVTKKLYDTLTGIQMGHIEAPEGWIKTICKHGEC

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