SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_022529386.1 NCBI__GCF_000469325.1:WP_022529386.1 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)
61% identity, 97% coverage: 8:342/345 of query aligns to 3:337/337 of 3uyyB

query
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3uyyB

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active site: K181 (= K186)
binding pyridoxal-5'-phosphate: R79 (= R84), R171 (= R176), K181 (= K186), Y186 (= Y191), E217 (= E222), G219 (= G224), A220 (≠ S225), A221 (= A226), S244 (= S249), I245 (= I250), T246 (= T251), G282 (= G287), T283 (= T288)

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)
61% identity, 97% coverage: 8:342/345 of query aligns to 1:335/335 of 3uzoA

query
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3uzoA

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active site: K179 (= K186)
binding glutamic acid: Y48 (= Y55), F53 (= F60), R122 (= R129), V134 (= V141), Y152 (= Y159), T281 (= T288), A282 (= A289)
binding pyridoxal-5'-phosphate: R77 (= R84), K179 (= K186), Y184 (= Y191), E215 (= E222), G217 (= G224), A218 (≠ S225), A219 (= A226), N220 (= N227), L240 (= L247), S242 (= S249), I243 (= I250), T244 (= T251), G280 (= G287), T281 (= T288)

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)
61% identity, 97% coverage: 8:342/345 of query aligns to 1:335/335 of 3uzbA

query
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3uzbA

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active site: K179 (= K186)
binding 2-oxo-4-methylpentanoic acid: Y120 (= Y127), K179 (= K186), T281 (= T288), A282 (= A289)
binding pyridoxal-5'-phosphate: R77 (= R84), K179 (= K186), Y184 (= Y191), E215 (= E222), G217 (= G224), A218 (≠ S225), A219 (= A226), N220 (= N227), S242 (= S249), I243 (= I250), T244 (= T251), G280 (= G287), T281 (= T288)

6jifB Crystal structures of branched-chain aminotransferase from pseudomonas sp. Uw4 (see paper)
58% identity, 97% coverage: 8:342/345 of query aligns to 1:334/334 of 6jifB

query
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6jifB

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T

K

H

D

D

G

N

K

K

T

F

L

V

K

-

T

T

P

P

K

N

S

S

P

P

S

S

I

V

L
|
L

P

P

S
x
G

I
|
I

T
|
T

K

R

Y

L

S

S

S

L

L

I

Y

E

L

L

A

A

E

K

H

T

V

R

L

L

G

G

M

M

K

E

T

V

E

V

E

E

T

G

R

D

I

V

S

F

I

I

D

D

E

K

L

L

D

S

E

D

F

F

G

K

E

E

A

A

A

G

A

A

C

C

G
|
G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

I

A

G

G

G

I

I

Q

D

Y

Y

G

N

D

D

H

H

Y

L

H

H

V

V

F

F

Y

H

D

S

E

E

K

T

K

E

V

V

G

G

P

P

I

V

T

T

H

Q

K

K

L

L

Y

Y

D

K

L

E

L

L

T

T

G

G

I

V

Q

Q

F

T

G

G

D

D

V

I

D

E

G

A

P

P

A

A

G

G

W

W

V

I

Q

V

E

K

V

V

binding pyridoxal-5'-phosphate: R77 (= R84), R169 (= R176), K179 (= K186), Y184 (= Y191), E215 (= E222), S218 (= S225), A219 (= A226), N220 (= N227), L239 (= L247), G241 (≠ S249), I242 (= I250), T243 (= T251), G279 (= G287), T280 (= T288)

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
41% identity, 90% coverage: 33:342/345 of query aligns to 17:334/335 of 3ht5A

query
sites
3ht5A

W

W

E

H

P

N

G

A

Q

R

L

V

T

I

K

P

D

Y

P

G

N

P

M

I

T

E

M

L

N

D

E

P

S

S

S

A

P

I

I

V

L

L

H

H

Y

Y

G

A

Q

Q

G

E

A

V

F

F

E

E

G

G

M

L

K

K

A

A

Y

Y

R

R

A

W

K

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

A

D

D

Q

A

N

N

A

A

Q

A

R
|
R

L

L

Q

R

H

S

S

S

A

A

D

R

R

R

L

L

L

A

M

I

P

P

E

E

Y

L

P

P

T

D

D

A

D

V

F

F

L

I

N

E

A

S

V

L

K

R

L

Q

V

L

V

I

A

A

A

V

N

D

A

K

D

A

Y

W

V

V

P

P

P

G

Y

A

G

G

T

G

G

E

A

E

T

A

L

L

Y

Y

I

L

R

R

P

P

L

F

L

I

I

F

G

A

V

T

G

E

E

P

N

G

I

L

G

G

V

V

H

R

P

P

A

A

P

T

E

Q

Y

Y

V

R

L

Y

R

L

I

L

F

I

A

A

M

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

L

I

T

A

P

P

T

V

S

S

F

V

L

W

V

V

-

S

V

T

D

E

Y

Y

D

V

R

R

A

A

A

C

H

P

N

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

N

N

Y
|
Y

A

A

S

S

L

L

A

A

G

Q

Q

A

E

E

A

A

H

A

T

E

H

N

H

G

F

C

S

D

D

Q

A

V

I

V

Y

W

L

L

D

D

P

A

V

V

H

E

H

R

R

R

Y

Y

I

I

E

E

E
|
E

V

M

G

G

S
x
G

A
x
M

N
|
N

F

I

L

F

A

F

F

V

T

L

K

G

D

S

G

G

K

G

T

S

-

A

-

R

L

L

K

V

T

T

P

P

K

E

-

L

S

S

P

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

K

R

Y

D

S

S

S

L

L

L

Y

Q

L

L

A

A

E

I

H

D

V

A

L

-

G

G

M

F

K

A

T

V

E

E

T

R

R

R

I

I

S

D

I

I

D

D

E

E

L

W

D

Q

-

K

-

A

-

G

E

E

F

I

G

T

E

E

A

V

A

F

A

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

V

A

A

G

R

I

V

Q

R

Y

H

G

G

D

A

H

S

Y

E

H

F

V

R

F

I

Y

A

D

D

E

G

K

Q

K

P

V

-

G

G

P

E

I

V

T

T

H

M

K

A

L

L

Y

R

D

D

L

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

D

A

G

D

P

T

A

H

G

G

W

W

V

M

Q

A

E

R

V

L

active site: K171 (= K186)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R84), K171 (= K186), Y176 (= Y191), E207 (= E222), G210 (≠ S225), M211 (≠ A226), N212 (= N227), L235 (= L247), G237 (≠ S249), I238 (= I250), T239 (= T251), T281 (= T288)

3dtgA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
42% identity, 91% coverage: 30:342/345 of query aligns to 42:362/363 of 3dtgA

query
sites
3dtgA

D

D

G

E

A

G

W

W

E

H

P

N

G

A

Q

Q

L

V

T

I

K

P

D

Y

P

G

N

P

M

I

T

Q

M

L

N

D

E

P

S

S

S

A

P

I

I

V

L

L

H

H

Y

Y

G

G

Q

Q

G

E

A

I

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

Y

R

R

A

W

K

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

P

D

E

Q

A

N

N

A

A

Q

A

R
|
R

L

L

Q

Q

H

S

S

S

A

A

D

R

R

R

L

L

L

A

M

I

P

P

E

E

Y

L

P

P

T

E

D

E

D

V

F

F

L

I

N

E

A

S

V

L

K

R

L

Q

V

L

V

I

A

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

Y

A

G

G

T

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

L

F

L

V

I

I

G

A

V

T

G

E

E

P

N

G

I

L

G

G

V

V

H

R

P

P

A

S

P

N

E

E

Y

Y

V

R

L

Y

R

L

I

L

F

I

A

A

M

S

P

P

V

A

G

G

P

A

Y
|
Y

F

F

K

K

G

G

L

I

T

K

P

P

T

V

S

S

-

V

F

W

L

L

V

S

V

H

D

E

Y

Y

D

V

R
|
R

A

A

A

S

H

P

N

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

N

N

Y
|
Y

A

A

S

S

L

L

A

A

G

Q

Q

A

E

Q

A

A

H

A

T

E

H

M

H

G

F

C

S

D

D

Q

A

V

I

V

Y

W

L

L

D

D

P

A

V

I

H

E

H

R

R

R

Y

Y

I

V

E

E

E
|
E

V

M

G

G

S
x
G

A

M

N

N

-

L

F

F

L

F

A

V

F

F

T

G

K

S

D

G

G

G

K

S

T

A

-

R

L

L

K

V

T

T

P

P

K

E

-

L

S

S

P

G

S

S

I

L

L
|
L

P

P

S

G

I
|
I

T
|
T

K

R

Y

D

S

S

S

L

L

L

Y

Q

L

L

A

A

E

T

H

D

V

A

L

-

G

G

M

F

K

A

T

V

E

E

T

R

R

K

I

I

S

D

I

V

D

D

E

E

L

W

D

Q

-

K

-

A

-

G

-

A

-

G

E

E

F

I

G

T

E

E

A

V

A

F

A

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

V

A

S

G

H

I

V

Q

K

Y

H

G

H

D

D

H

G

Y

E

H

F

V

T

F

I

Y

A

D

D

E

G

K

Q

K

P

V

-

G

G

P

E

I

I

T

T

H

M

K

A

L

L

Y

R

D

D

L

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

D

A

G

D

P

T

A

H

G

G

W

W

V

M

Q

A

E

R

V

L

active site: K199 (= K186)
binding O-benzylhydroxylamine: F72 (= F60), Y171 (= Y159), Y204 (= Y191)
binding pyridoxal-5'-phosphate: R96 (= R84), R189 (= R176), K199 (= K186), Y204 (= Y191), E235 (= E222), G238 (≠ S225), L263 (= L247), I266 (= I250), T267 (= T251), T309 (= T288)

3dtfA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design (see paper)
42% identity, 91% coverage: 30:342/345 of query aligns to 42:362/363 of 3dtfA

query
sites
3dtfA

D

D

G

E

A

G

W

W

E

H

P

N

G

A

Q

Q

L

V

T

I

K

P

D

Y

P

G

N

P

M

I

T

Q

M

L

N

D

E

P

S

S

S

A

P

I

I

V

L

L

H

H

Y

Y

G

G

Q

Q

G

E

A

I

F

F

E

E

G

G

M

L

K

K

A

A

Y

Y

R

R

A

W

K

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

P

D

E

Q

A

N

N

A

A

Q

A

R
|
R

L

L

Q

Q

H

S

S

S

A

A

D

R

R

R

L

L

L

A

M

I

P

P

E

E

Y

L

P

P

T

E

D

E

D

V

F

F

L

I

N

E

A

S

V

L

K

R

L

Q

V

L

V

I

A

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

Y

A

G

G

T

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

L

F

L

V

I

I

G

A

V

T

G

E

E

P

N

G

I

L

G

G

V

V

H

R

P

P

A

S

P

N

E

E

Y

Y

V

R

L

Y

R

L

I

L

F

I

A

A

M

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

L

I

T

K

P

P

T

V

S

S

-

V

F

W

L

L

V

S

V

H

D

E

Y

Y

D

V

R

R

A

A

A

S

H

P

N

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

N

N

Y

Y

A

A

S

S

L

L

A

A

G

Q

Q

A

E

Q

A

A

H

A

T

E

H

M

H

G

F

C

S

D

D

Q

A

V

I

V

Y

W

L

L

D

D

P

A

V

I

H

E

H

R

R

R

Y

Y

I

V

E

E

V

M

G

G

S

G

A

M

N

N

-

L

F

F

L

F

A

V

F

F

T

G

K

S

D

G

G

G

K

S

T

A

-

R

L

L

K

V

T

T

P

P

K

E

-

L

S

S

P

G

S

S

I

L

L

L

P

P

S

G

I
|
I

T
|
T

K

R

Y

D

S

S

S

L

L

L

Y

Q

L

L

A

A

E

T

H

D

V

A

L

-

G

G

M

F

K

A

T

V

E

E

T

R

R

K

I

I

S

D

I

V

D

D

E

E

L

W

D

Q

-

K

-

A

-

G

-

A

-

G

E

E

F

I

G

T

E

E

A

V

A

F

A

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

V

A

S

G

H

I

V

Q

K

Y

H

G

H

D

D

H

G

Y

E

H

F

V

T

F

I

Y

A

D

D

E

G

K

Q

K

P

V

-

G

G

P

E

I

I

T

T

H

M

K

A

L

L

Y

R

D

D

L

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

D

A

G

D

P

T

A

H

G

G

W

W

V

M

Q

A

E

R

V

L

active site: K199 (= K186)
binding sulfate ion: R96 (= R84), I266 (= I250), T267 (= T251), T309 (= T288)

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)
42% identity, 91% coverage: 30:342/345 of query aligns to 47:367/368 of A0R066

query
sites
A0R066

D

D

G

E

A

G

W

W

E

H

P

N

G

A

Q

Q

L

V

T

I

K

P

D

Y

P

G

N

P

M

I

T

Q

M

L

N

D

E

P

S

S

S

A

P

I

I

V

L

L

H

H

Y

Y

G

G

Q

Q

G

E

A

I

F

F

E

E

G

G

M

L

K

K

A

A

Y

Y

R

R

A

W

K

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

P

D

E

Q

A

N

N

A

A

Q

A

R
|
R

L

L

Q

Q

H

S

S

S

A

A

D

R

R

R

L

L

L

A

M

I

P

P

E

E

Y

L

P

P

T

E

D

E

D

V

F

F

L

I

N

E

A

S

V

L

K

R

L

Q

V

L

V

I

A

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

Y

A

G

G

T

G

G

E

A

E

T

S

L

L

Y

Y

I

L

R

R

P

P

L

F

L

V

I

I

G

A

V

T

G

E

E

P

N

G

I

L

G

G

V

V

H

R

P

P

A

S

P

N

E

E

Y

Y

V

R

L

Y

R

L

I

L

F

I

A

A

M

S

P

P

V

A

G

G

P

A

Y

Y

F

F

K

K

G

G

L

I

T

K

P

P

T

V

S

S

-

V

F

W

L

L

V

S

V

H

D

E

Y

Y

D

V

R

R

A

A

A

S

H

P

N

G

G

G

T

T

G

G

Q

A

S

A

K

K

V

F

G

G

N

N

Y
|
Y

A

A

S

S

L

L

A

A

G

Q

Q

A

E

Q

A

A

H

A

T

E

H

M

H

G

F

C

S

D

D

Q

A

V

I

V

Y

W

L

L

D

D

P

A

V

I

H

E

H

R

R

R

Y

Y

I

V

E

E

V

M

G

G

S

G

A

M

N

N

-

L

F

F

L

F

A

V

F

F

T

G

K

S

D

G

G

G

K

S

T

A

-

R

L

L

K

V

T

T

P

P

K

E

-

L

S

S

P

G

S

S

I

L

L

L

P

P

S

G

I

I

T

T

K

R

Y

D

S

S

S

L

L

L

Y

Q

L

L

A

A

E

T

H

D

V

A

L

-

G

G

M

F

K

A

T

V

E

E

T

R

R

K

I

I

S

D

I

V

D

D

E

E

L

W

D

Q

-
x
K

-

K

-

A

-

G

-

A

-

G

E

E

F

I

G

T

E

E

A

V

A

F

A

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

V

A

S

G

H

I

V

Q

K

Y

H

G

H

D

D

H

G

Y

E

H

F

V

T

F

I

Y

A

D

D

E

G

K

Q

K

P

V

-

G

G

P

E

I

I

T

T

H

M

K

A

L

L

Y

R

D

D

L

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

D

A

G

D

P

T

A

H

G

G

W

W

V

M

Q

A

E

R

V

L

R101 (= R84) binding pyridoxal 5'-phosphate
Y209 (= Y191) binding pyridoxal 5'-phosphate
K299 (vs. gap) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T314 (= T288) binding pyridoxal 5'-phosphate

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
40% identity, 87% coverage: 44:342/345 of query aligns to 27:325/326 of 5u3fA

query
sites
5u3fA

M

I

T

E

M

L

N

D

E

P

S

S

S

A

P

I

I

V

L

L

H

H

Y

Y

G

A

Q

Q

G

E

A

V

F

F

E

E

G
|
G

M

L

K

K

A

A

Y

Y

R

R

A

W

K

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

A

D

D

Q

A

N

N

A

A

Q

A

R
|
R

L

L

Q

R

H

S

S

S

A

A

D

R

R

R

L

L

L

A

M

I

P

P

E

E

Y

L

P

P

T

D

D

A

D

V

F

F

L

I

N

E

A

S

V

L

K

R

L

Q

V

L

V

I

A

A

A

V

N

D

A

K

D

A

Y

W

V

V

P

P

P

G

Y

A

G

G

T

G

G

E

A

E

T

A

L

L

Y
|
Y

I

L

R

R

P

P

L

F

L

I

I

F

G

A

V

T

G

E

E

P

N

G

I

L

G

G

V

V

H

R

P

P

A

A

P

T

E

Q

Y

Y

V

R

L

Y

R

L

I

L

F

I

A

A

M

S

P

P

V

A

G

A

P

P

Y

V

F

-

K

-

G

-

L

-

T

-

P

-

T

S

S

V

F

W

L

V

V

S

V

T

D

E

Y

Y

D

V

R

R

A

A

A

C

H

P

N

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

N

N

Y
|
Y

A

A

S

S

L

L

A

A

G

Q

Q

A

E

E

A

A

H

A

T

E

H

N

H

G

F

C

S

D

D

Q

A

V

I

V

Y

W

L

L

D

D

P

A

V

V

H

E

H

R

R

R

Y

Y

I

I

E

E

E
|
E

V

M

G

G

S
x
G

A
x
M

N
|
N

F

I

L

F

A

F

F

V

T

L

K

G

D

S

G

G

K

G

T

S

-

A

-

R

L

L

K

V

T

T

P

P

K

E

-

L

S

S

P

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

K

R

Y

D

S

S

S

L

L

L

Y

Q

L

L

A

A

E

I

H

D

V

A

L

-

G

G

M

F

K

A

T

V

E

E

T

R

R

R

I

I

S

D

I

I

D

D

E

E

L

W

D

Q

-

K

-

A

-

G

E

E

F

I

G

T

E

E

A

V

A

F

A

A

C

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

I

V

A

A

G

R

I

V

Q

R

Y

H

G

G

D

A

H

S

Y

E

H

F

V

R

F

I

Y

A

D

D

E

G

K

Q

K

P

V

-

G

G

P

E

I

V

T

T

H

M

K

A

L

L

Y

R

D

D

L

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

D

A

G

D

P

T

A

H

G

G

W

W

V

M

Q

A

E

R

V

L

active site: K162 (= K186)
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 (= G62), R67 (= R84), Y110 (= Y127), K162 (= K186), Y167 (= Y191), E198 (= E222), G201 (≠ S225), M202 (≠ A226), N203 (= N227), L226 (= L247), G228 (≠ S249), I229 (= I250), T230 (= T251), T272 (= T288)

7nwmA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 12 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:354/365 of 7nwmA

query
sites
7nwmA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

A

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R
|
R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R84), R191 (= R176), K201 (= K186), Y206 (= Y191), E236 (= E222), T239 (≠ S225), M240 (≠ A226), L265 (= L247), G267 (≠ S249), V268 (≠ I250), T269 (= T251), G311 (= G287), T312 (= T288)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F15), Y69 (= Y55), F74 (= F60), Y140 (= Y127), G153 (= G140), V154 (= V141), Y172 (= Y159), Q213 (≠ G198), Q223 (≠ D208), T239 (≠ S225), A313 (= A289)

7nweA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 10 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:354/365 of 7nweA

query
sites
7nweA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

A

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R

R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R84), K201 (= K186), Y206 (= Y191), E236 (= E222), T239 (≠ S225), M240 (≠ A226), L265 (= L247), G267 (≠ S249), V268 (≠ I250), T269 (= T251), G311 (= G287), T312 (= T288)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F15), Y69 (= Y55), F74 (= F60), Y140 (= Y127), G153 (= G140), V154 (= V141), Y172 (= Y159), Q213 (≠ G198), Q223 (≠ D208), T239 (≠ S225), A313 (= A289)

7nwcA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 2 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:354/365 of 7nwcA

query
sites
7nwcA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

A

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G

G

V

V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R
|
R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G

Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N
|
N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R84), R191 (= R176), K201 (= K186), Y206 (= Y191), E236 (= E222), T239 (≠ S225), M240 (≠ A226), N241 (= N227), L265 (= L247), G267 (≠ S249), V268 (≠ I250), T269 (= T251), G311 (= G287), T312 (= T288)
binding 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione: F28 (= F15), Y172 (= Y159), Q223 (≠ D208), T239 (≠ S225), A313 (= A289)

7nwbA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 1 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:354/365 of 7nwbA

query
sites
7nwbA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

A

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R
|
R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R84), R191 (= R176), K201 (= K186), Y206 (= Y191), E236 (= E222), T239 (≠ S225), M240 (≠ A226), L265 (= L247), G267 (≠ S249), V268 (≠ I250), T269 (= T251), G311 (= G287), T312 (= T288)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F15), Y69 (= Y55), F74 (= F60), Y140 (= Y127), G153 (= G140), V154 (= V141), Y172 (= Y159), Q213 (≠ G198), Q223 (≠ D208), A313 (= A289)

7nwaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and compound a (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:354/365 of 7nwaA

query
sites
7nwaA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F

F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

A

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R
|
R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F
|
F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T
x
V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R

R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G

Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V
|
V

G

G

S
x
T

A
x
M

N
|
N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S
x
C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R84), K201 (= K186), Y206 (= Y191), E236 (= E222), T239 (≠ S225), N241 (= N227), L265 (= L247), G267 (≠ S249), V268 (≠ I250), T269 (= T251), T312 (= T288)
binding 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile: R142 (= R129), G153 (= G140), V154 (= V141), Y172 (= Y159), F173 (= F160), V181 (≠ T167), Q223 (≠ D208), V237 (= V223), T239 (≠ S225), M240 (≠ A226), G311 (= G287), A313 (= A289), C317 (≠ S293)

7nyaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor bay-069 (compound 36) (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 8:353/364 of 7nyaA

query
sites
7nyaA

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

A

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R
|
R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R97 (= R84), R190 (= R176), K200 (= K186), Y205 (= Y191), E235 (= E222), T238 (≠ S225), M239 (≠ A226), L264 (= L247), G266 (≠ S249), V267 (≠ I250), T268 (= T251), G310 (= G287), T311 (= T288)
binding 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione: F27 (= F15), Y68 (= Y55), F73 (= F60), Y139 (= Y127), G152 (= G140), V153 (= V141), Y171 (= Y159), Q212 (≠ G198), Q222 (≠ D208), T238 (≠ S225), A312 (= A289)

7ny9A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 38 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 8:353/364 of 7ny9A

query
sites
7ny9A

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

A

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R
|
R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S
x
Q

D
x
Q

A
x
V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N
|
N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G

G

T
|
T

A

A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R97 (= R84), R190 (= R176), K200 (= K186), Y205 (= Y191), E235 (= E222), T238 (≠ S225), M239 (≠ A226), N240 (= N227), L264 (= L247), G266 (≠ S249), V267 (≠ I250), T268 (= T251), T311 (= T288)
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: F27 (= F15), Y139 (= Y127), G152 (= G140), V153 (= V141), Y171 (= Y159), Q212 (≠ G198), Q221 (≠ S207), Q222 (≠ D208), V223 (≠ A209), T238 (≠ S225)

7ny2A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 35 (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 8:353/364 of 7ny2A

query
sites
7ny2A

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F
|
F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

A

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R
|
R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y
|
Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G
|
G

V
|
V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y
|
Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R

R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

L

F

A

A

G
x
Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D
x
Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E
|
E

V

V

G

G

S
x
T

A
x
M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A

G

C

S

G

G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

I

L

T

A

H

S

K

R

L

I

Y

L

D

S

L

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R97 (= R84), K200 (= K186), Y205 (= Y191), E235 (= E222), T238 (≠ S225), M239 (≠ A226), L264 (= L247), G266 (≠ S249), V267 (≠ I250), T268 (= T251), T311 (= T288)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile: F27 (= F15), Y139 (= Y127), G152 (= G140), V153 (= V141), Y171 (= Y159), Q212 (≠ G198), Q222 (≠ D208), A312 (= A289)

P54687 Branched-chain-amino-acid aminotransferase, cytosolic; BCAT(c); EC 2.6.1.42 from Homo sapiens (Human) (see 2 papers)
33% identity, 96% coverage: 1:330/345 of query aligns to 30:375/386 of P54687

query
sites
P54687

M

L

L

I

T

V

D

T

P

P

K

A

T

T

I

I

-

L

-

K

-

E

-

K

-

P

D

D

W

P

Q

N

H

N

L

L

G

V

F

F

E

G

Y

T

M

V

Q

F

T

T

P

D

Y

H

R

M

F

L

E

T

A

V

H

E

W

W

R

S

-

S

D

E

G

F

A

G

W

W

E

E

P

K

G

P

Q

H

L

I

T

K

K

P

D

L

P

Q

N

N

M

L

T

S

M

L

N

H

E

P

S

G

S

S

P

S

I

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

A

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

R

R

A

G

K

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

D

N

Q

L

N

N

A

M

Q

D

R

R

L

M

Q

Y

H

R

S

S

A

A

D

V

R

R

L

A

L

T

M

L

P

P

E

V

Y

F

P

D

T

K

D

E

F

L

L

L

N

E

A

C

V

I

K

Q

L

Q

V

L

V

V

A

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

A

A

T

S

L

L

Y

Y

I

I

R

R

P

P

L

T

L

F

I

I

G

G

V

T

G

E

E

P

N

S

I

L

G

G

V

V

H

K

P

K

A

P

P

T

E

K

Y

A

V

L

L

L

R

F

I

V

F

L

A

L

M

S

P

P

V

V

G

G

P

P

Y

Y

F

F

K

S

G

S

G

G

-

T

L

F

T

N

P

P

T

V

S

S

F

L

L

W

V

A

V

N

-

P

D

K

Y

Y

D

V

R

R

A

A

A

W

H

K

N

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

N

N

Y

Y

A

G

A

S

S

S

L

L

L

F

A

A

G

Q

Q

C

E

E

A

A

H

V

T

D

H

N

H

G

F

C

S

Q

D

Q

A

V

I

L

Y

W

L

L

D

Y

P

G

V

E

H

D

H

H

R

Q

Y

-

I

I

E

T

E

E

V

V

G

G

S

T

A

M

N

N

F

L

L

F

A

L

F

Y

-

W

-

I

T

N

K

E

D

D

G

G

-

E

K

E

T

E

L

L

K

A

T

T

P

P

K

P

S

L

P

D

S

G

-

I

I

I

L

L

P

P

S

G

I

V

T

T

K

R

Y

R

S

C

S

I

L

L

Y

D

L

L

A

A

E

H

H

Q

V

W

L

G

G

E

M

F

K

K

T

V

E

S

E

E

T

R

R

Y

I

L

S

T

I

M

D

D

E

D

L

L

-

T

-

A

-

L

-

E

-

G

D

N

E

R

F

V

G

R

E

E

A

M

A

F

A
x
G

C

S

G

G

T

T

A

A

A

C

V

V

I

V

S

C

P

P

I

V

A

S

G

D

I

I

Q

L

Y

Y

-

K

G

G

D

E

H

T

Y

I

H

H

V

I

F

P

Y

T

D

M

E

E

K

N

K

-

V

-

G

G

P

P

-

K

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K222 (= K186) modified: N6-(pyridoxal phosphate)lysine
G330 (≠ A285) to S: in dbSNP:rs1057204

2abjA Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, c16h10n2o4f3scl, and pyridoxal 5' phosphate. (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 10:355/366 of 2abjA

query
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2abjA

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active site: K202 (= K186)
binding n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide: F29 (= F15), F75 (= F60), Y141 (= Y127), Y173 (= Y159), K202 (= K186), Q224 (≠ D208), T240 (≠ S225), M241 (≠ A226), G312 (= G287), A314 (= A289), C315 (≠ A290)
binding pyridoxal-5'-phosphate: R99 (= R84), R192 (= R176), K202 (= K186), Y207 (= Y191), E237 (= E222), T240 (≠ S225), M241 (≠ A226), N242 (= N227), L266 (= L247), G268 (≠ S249), V269 (≠ I250), T270 (= T251), T313 (= T288)

7nxnA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 21(5-f) (see paper)
33% identity, 96% coverage: 1:330/345 of query aligns to 9:351/362 of 7nxnA

query
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7nxnA

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binding pyridoxal-5'-phosphate: R98 (= R84), R188 (= R176), K198 (= K186), Y203 (= Y191), E233 (= E222), T236 (≠ S225), M237 (≠ A226), N238 (= N227), L262 (= L247), G264 (≠ S249), V265 (≠ I250), T266 (= T251), T309 (= T288)
binding 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F15), Y69 (= Y55), F74 (= F60), G153 (= G140), V154 (= V141), Y172 (= Y159), Q210 (≠ G198), Q219 (≠ S207), Q220 (≠ D208), T236 (≠ S225)

Query Sequence

>WP_022529386.1 NCBI__GCF_000469325.1:WP_022529386.1
MLTDPKTIDWQHLGFEYMQTPYRFEAHWRDGAWEPGQLTKDPNMTMNESSPILHYGQGAF
EGMKAYRAKDGRILLFRPDQNAQRLQHSADRLLMPEYPTDDFLNAVKLVVAANADYVPPY
GTGATLYIRPLLIGVGENIGVHPAPEYVLRIFAMPVGPYFKGGLTPTSFLVVDYDRAAHN
GTGQSKVGGNYAASLLAGQEAHTHHFSDAIYLDPVHHRYIEEVGSANFLAFTKDGKTLKT
PKSPSILPSITKYSSLYLAEHVLGMKTEETRISIDELDEFGEAAACGTAAVISPIAGIQY
GDHYHVFYDEKKVGPITHKLYDLLTGIQFGDVDGPAGWVQEVPLT

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