SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089136520.1 NCBI__GCF_002217945.1:WP_089136520.1 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)

6jifB Crystal structures of branched-chain aminotransferase from pseudomonas sp. Uw4 (see paper)
66% identity, 97% coverage: 10:343/345 of query aligns to 1:334/334 of 6jifB

query
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6jifB

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binding pyridoxal-5'-phosphate: R77 (= R86), R169 (= R178), K179 (= K188), Y184 (= Y193), E215 (= E224), S218 (= S227), A219 (= A228), N220 (= N229), L239 (= L248), G241 (≠ S250), I242 (= I251), T243 (= T252), G279 (= G288), T280 (= T289)

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)
66% identity, 97% coverage: 8:343/345 of query aligns to 1:337/337 of 3uyyB

query
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3uyyB

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active site: K181 (= K188)
binding pyridoxal-5'-phosphate: R79 (= R86), R171 (= R178), K181 (= K188), Y186 (= Y193), E217 (= E224), G219 (= G226), A220 (≠ S227), A221 (= A228), S244 (= S250), I245 (= I251), T246 (= T252), G282 (= G288), T283 (= T289)

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)
67% identity, 97% coverage: 10:343/345 of query aligns to 1:335/335 of 3uzoA

query
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3uzoA

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active site: K179 (= K188)
binding glutamic acid: Y48 (= Y57), F53 (= F62), R122 (= R131), V134 (= V143), Y152 (= Y161), T281 (= T289), A282 (= A290)
binding pyridoxal-5'-phosphate: R77 (= R86), K179 (= K188), Y184 (= Y193), E215 (= E224), G217 (= G226), A218 (≠ S227), A219 (= A228), N220 (= N229), L240 (= L248), S242 (= S250), I243 (= I251), T244 (= T252), G280 (= G288), T281 (= T289)

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)
67% identity, 97% coverage: 10:343/345 of query aligns to 1:335/335 of 3uzbA

query
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3uzbA

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D

Y

F

S

A

D

D

V

V

I

I

Y

Y

L

L

D

D

P

P

A

A

T

T

H

H

T

T

K

T

I

I

E

E

E
|
E

A

A

G
|
G

S
x
A

A
|
A

N
|
N

F

F

F

F

G

A

I

I

T

T

K

Q

N

D

N

G

E

Q

-

K

F

F

V

V

T

T

P

P

K

Q

S

S

N

P

S

S

I

I

L

L

P

P

S
|
S

I
|
I

T
|
T

K

K

Y

Y

S

S

L

L

L

L

Y

W

L

L

A

A

E

E

H

H

N

R

L

L

G

G

M

L

K

E

A

V

I

E

E

E

G

G

D

D

V

I

F

R

I

I

N

D

D

E

L

L

D

G

R

K

F

F

T

S

E

E

A

A

G

G

A

A

M

C

G
|
G

T
|
T

A
|
A

A

A

V

V

I

I

A

T

P

P

I

I

G

G

G

G

I

I

E

Q

Y

H

Q

G

D

D

Q

D

L

F

H

H

V

V

F

F

Y

Y

S

S

E

E

T

S

E

E

V

P

G

G

P

P

V

V

T

T

Q

R

K

R

L

L

Y

Y

D

D

T

E

L

L

T

V

G

G

I

I

Q

Q

F

Y

G

G

D

D

V

K

K

E

A

A

P

P

E

E

G

G

W

W

I

I

Q

V

K

K

V

V

active site: K179 (= K188)
binding 2-oxo-4-methylpentanoic acid: Y120 (= Y129), K179 (= K188), T281 (= T289), A282 (= A290)
binding pyridoxal-5'-phosphate: R77 (= R86), K179 (= K188), Y184 (= Y193), E215 (= E224), G217 (= G226), A218 (≠ S227), A219 (= A228), N220 (= N229), S242 (= S250), I243 (= I251), T244 (= T252), G280 (= G288), T281 (= T289)

3dtgA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
38% identity, 90% coverage: 32:343/345 of query aligns to 42:362/363 of 3dtgA

query
sites
3dtgA

D

D

G

E

Q

G

W

W

D

H

D

N

G

A

K

Q

L

V

T

I

E

P

D

Y

A

G

T

P

L

I

H

Q

I

L

S

D

E

P

G

S

S

A

T

I

A

V

L

L

H

H

Y

Y

G

G

Q

Q

A

E

D

I

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

Y

R

R

T

W

K

A

N

D

G

G

D

S

I

I

Q

V

L

S

F

F

R

R

P

P

D

E

R

A

N

N

A

A

A

A

R
|
R

M

L

Q

Q

K

S

S

S

C

A

E

R

R

R

L

L

L

A

M

I

P

P

P

E

F

L

P

P

T

E

D

E

K

V

F

F

V

I

A

E

A

S

V

L

K

R

S

Q

V

L

V

I

K

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

P

P

Y

A

G

G

T

G

G

E

G

E

T

S

L

L

Y

Y

L

L

R

R

P

P

L

F

M

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

L

R

F

Y

T

L

V

L

F

I

A

A

M

S

P

P

V

A

G

G

A

A

Y
|
Y

Y

F

K

K

G

G

G

G

V

I

K

K

P

P

T

V

N

S

F

V

T

W

T

L

S

S

Y

H

-

E

Y

Y

D

V

R
|
R

A

A

A

S

P

P

H

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

G

G

N

N

Y
|
Y

G

A

G

A

S

S

L

L

L

L

P

A

G

Q

S

A

E

Q

A

A

H

A

K

E

A

M

G

G

Y

C

S

D

D

Q

V

V

I

V

Y

W

L

L

D

D

P

A

A

I

T

E

H

R

T

R

K

Y

I

V

E

E

E
|
E

A

M

G

G

S
x
G

A

M

N

N

F

L

-

F

-

F

-

V

F

F

G

G

I

S

T

G

K

G

N

S

N

A

E

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

N

G

S

S

I

L

L
|
L

P

P

S

G

I
|
I

T
|
T

K

R

Y

D

S

S

L

L

L

L

Y

Q

L

L

A

A

E

T

H

-

N

D

L

A

G

G

M

F

K

A

A

V

I

E

E

E

G

R

D

K

V

I

F

D

I

V

N

D

D

E

L

W

D

Q

R

K

-

K

-

A

-

G

-

A

-

G

-

E

F

I

T

T

E

E

A

V

G

F

A

A

M

C

G

G

T
|
T

A

A

A

A

V

V

I

I

A

T

P

P

I

V

G

S

G

H

I

V

E

K

Y

H

Q

H

D

D

Q

G

L

E

H

F

V

T

F

I

Y

-

S

A

E

D

T

G

E

Q

V

P

G

G

P

E

V

I

T

T

Q

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

K

A

A

D

P

T

E

H

G

G

W

W

I

M

Q

A

K

R

V

L

active site: K199 (= K188)
binding O-benzylhydroxylamine: F72 (= F62), Y171 (= Y161), Y204 (= Y193)
binding pyridoxal-5'-phosphate: R96 (= R86), R189 (= R178), K199 (= K188), Y204 (= Y193), E235 (= E224), G238 (≠ S227), L263 (= L248), I266 (= I251), T267 (= T252), T309 (= T289)

3dtfA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design (see paper)
38% identity, 90% coverage: 32:343/345 of query aligns to 42:362/363 of 3dtfA

query
sites
3dtfA

D

D

G

E

Q

G

W

W

D

H

D

N

G

A

K

Q

L

V

T

I

E

P

D

Y

A

G

T

P

L

I

H

Q

I

L

S

D

E

P

G

S

S

A

T

I

A

V

L

L

H

H

Y

Y

G

G

Q

Q

A

E

D

I

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

R

R

T

W

K

A

N

D

G

G

D

S

I

I

Q

V

L

S

F

F

R

R

P

P

D

E

R

A

N

N

A

A

A

A

R
|
R

M

L

Q

Q

K

S

S

S

C

A

E

R

R

R

L

L

L

A

M

I

P

P

P

E

F

L

P

P

T

E

D

E

K

V

F

F

V

I

A

E

A

S

V

L

K

R

S

Q

V

L

V

I

K

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

P

P

Y

A

G

G

T

G

G

E

G

E

T

S

L

L

Y

Y

L

L

R

R

P

P

L

F

M

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

L

R

F

Y

T

L

V

L

F

I

A

A

M

S

P

P

V

A

G

G

A

A

Y

Y

Y

F

K

K

G

G

G

G

V

I

K

K

P

P

T

V

N

S

F

V

T

W

T

L

S

S

Y

H

-

E

Y

Y

D

V

R

R

A

A

A

S

P

P

H

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

G

G

N

N

Y

Y

G

A

G

A

S

S

L

L

L

L

P

A

G

Q

S

A

E

Q

A

A

H

A

K

E

A

M

G

G

Y

C

S

D

D

Q

V

V

I

V

Y

W

L

L

D

D

P

A

A

I

T

E

H

R

T

R

K

Y

I

V

E

E

E

E

A

M

G

G

S

G

A

M

N

N

F

L

-

F

-

F

-

V

F

F

G

G

I

S

T

G

K

G

N

S

N

A

E

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

N

G

S

S

I

L

L

L

P

P

S

G

I
|
I

T
|
T

K

R

Y

D

S

S

L

L

L

L

Y

Q

L

L

A

A

E

T

H

-

N

D

L

A

G

G

M

F

K

A

A

V

I

E

E

E

G

R

D

K

V

I

F

D

I

V

N

D

D

E

L

W

D

Q

R

K

-

K

-

A

-

G

-

A

-

G

-

E

F

I

T

T

E

E

A

V

G

F

A

A

M

C

G

G

T
|
T

A

A

A

A

V

V

I

I

A

T

P

P

I

V

G

S

G

H

I

V

E

K

Y

H

Q

H

D

D

Q

G

L

E

H

F

V

T

F

I

Y

-

S

A

E

D

T

G

E

Q

V

P

G

G

P

E

V

I

T

T

Q

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

K

A

A

D

P

T

E

H

G

G

W

W

I

M

Q

A

K

R

V

L

active site: K199 (= K188)
binding sulfate ion: R96 (= R86), I266 (= I251), T267 (= T252), T309 (= T289)

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)
38% identity, 90% coverage: 32:343/345 of query aligns to 47:367/368 of A0R066

query
sites
A0R066

D

D

G

E

Q

G

W

W

D

H

D

N

G

A

K

Q

L

V

T

I

E

P

D

Y

A

G

T

P

L

I

H

Q

I

L

S

D

E

P

G

S

S

A

T

I

A

V

L

L

H

H

Y

Y

G

G

Q

Q

A

E

D

I

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

R

R

T

W

K

A

N

D

G

G

D

S

I

I

Q

V

L

S

F

F

R

R

P

P

D

E

R

A

N

N

A

A

A

A

R
|
R

M

L

Q

Q

K

S

S

S

C

A

E

R

R

R

L

L

L

A

M

I

P

P

P

E

F

L

P

P

T

E

D

E

K

V

F

F

V

I

A

E

A

S

V

L

K

R

S

Q

V

L

V

I

K

A

A

V

N

D

A

E

D

K

Y

W

V

V

P

P

P

P

Y

A

G

G

T

G

G

E

G

E

T

S

L

L

Y

Y

L

L

R

R

P

P

L

F

M

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

L

R

F

Y

T

L

V

L

F

I

A

A

M

S

P

P

V

A

G

G

A

A

Y

Y

Y

F

K

K

G

G

G

G

V

I

K

K

P

P

T

V

N

S

F

V

T

W

T

L

S

S

Y

H

-

E

Y

Y

D

V

R

R

A

A

A

S

P

P

H

G

G

G

T

T

G

G

Q

A

S

A

K

K

V

F

G

G

G

G

N

N

Y
|
Y

G

A

G

A

S

S

L

L

L

L

P

A

G

Q

S

A

E

Q

A

A

H

A

K

E

A

M

G

G

Y

C

S

D

D

Q

V

V

I

V

Y

W

L

L

D

D

P

A

A

I

T

E

H

R

T

R

K

Y

I

V

E

E

E

E

A

M

G

G

S

G

A

M

N

N

F

L

-

F

-

F

-

V

F

F

G

G

I

S

T

G

K

G

N

S

N

A

E

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

N

G

S

S

I

L

L

L

P

P

S

G

I

I

T

T

K

R

Y

D

S

S

L

L

L

L

Y

Q

L

L

A

A

E

T

H

-

N

D

L

A

G

G

M

F

K

A

A

V

I

E

E

E

G

R

D

K

V

I

F

D

I

V

N

D

D

E

L

W

D

Q

R
x
K

-

K

-

A

-

G

-

A

-

G

-

E

F

I

T

T

E

E

A

V

G

F

A

A

M

C

G

G

T
|
T

A

A

A

A

V

V

I

I

A

T

P

P

I

V

G

S

G

H

I

V

E

K

Y

H

Q

H

D

D

Q

G

L

E

H

F

V

T

F

I

Y

-

S

A

E

D

T

G

E

Q

V

P

G

G

P

E

V

I

T

T

Q

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

K

A

A

D

P

T

E

H

G

G

W

W

I

M

Q

A

K

R

V

L

R101 (= R86) binding pyridoxal 5'-phosphate
Y209 (= Y193) binding pyridoxal 5'-phosphate
K299 (≠ R280) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T314 (= T289) binding pyridoxal 5'-phosphate

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
37% identity, 91% coverage: 30:343/345 of query aligns to 11:334/335 of 3ht5A

query
sites
3ht5A

Y

Y

K

A

D

E

G

G

Q

R

-

G

W

W

D

H

D

N

G

A

K

R

L

V

T

I

E

P

D

Y

A

G

T

P

L

I

H

E

I

L

S

D

E

P

G

S

S

A

T

I

A

V

L

L

H

H

Y

Y

G

A

Q

Q

A

E

D

V

F

F

E

E

G

G

L

L

K

K

A

A

Y

Y

R

R

T

W

K

A

N

D

G

G

D

S

I

I

Q

V

L

S

F

F

R

R

P

A

D

D

R

A

N

N

A

A

A

A

R
|
R

M

L

Q

R

K

S

S

S

C

A

E

R

R

R

L

L

L

A

M

I

P

P

P

E

F

L

P

P

T

D

D

A

K

V

F

F

V

I

A

E

A

S

V

L

K

R

S

Q

V

L

V

I

K

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

G

E

T

A

L

L

Y

Y

L

L

R

R

P

P

L

F

M

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

L

R

F

Y

T

L

V

L

F

I

A

A

M

S

P

P

V

A

G

G

A

A

Y

Y

Y

F

K

K

G

G

G

G

V

I

K

A

P

P

T

V

N

S

-

V

F

W

T

V

T

S

S

T

Y

E

Y

Y

D

V

R

R

A

A

A

C

P

P

H

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

G

G

N

N

Y
|
Y

G

A

G

A

S

S

L

L

L

L

P

A

G

Q

S

A

E

E

A

A

H

A

K

E

A

N

G

G

Y

C

S

D

D

Q

V

V

I

V

Y

W

L

L

D

D

P

A

A

V

T

E

H

R

T

R

K

Y

I

I

E

E

E
|
E

A

M

G

G

S
x
G

A
x
M

N
|
N

F

I

F

F

-

F

-

V

-

L

G

G

I

S

T

G

K

G

N

S

N

A

E

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

N

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

K

R

Y

D

S

S

L

L

L

L

Y

Q

L

L

A

A

E

-

H

I

N

D

L

A

G

G

M

F

K

A

A

V

I

E

E

E

G

R

D

R

V

I

F

D

I

I

N

D

D

E

L

W

D

Q

R

K

-

K

-

A

-

A

-

A

-

G

-

E

F

I

T

T

E

E

A

V

G

F

A

A

M

C

G

G

T
|
T

A

A

A

A

V

V

I

I

A

T

P

P

I

V

G

A

G

R

I

V

E

R

Y

H

Q

G

D

A

Q

S

L

-

H

E

V

F

F

R

Y

I

S

A

E

D

T

G

E

Q

V

P

G

G

P

E

V

V

T

T

Q

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

K

A

A

D

P

T

E

H

G

G

W

W

I

M

Q

A

K

R

V

L

active site: K171 (= K188)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R86), K171 (= K188), Y176 (= Y193), E207 (= E224), G210 (≠ S227), M211 (≠ A228), N212 (= N229), L235 (= L248), G237 (≠ S250), I238 (= I251), T239 (= T252), T281 (= T289)

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
35% identity, 91% coverage: 30:343/345 of query aligns to 10:325/326 of 5u3fA

query
sites
5u3fA

Y

Y

K

A

D

E

G

G

Q

R

-

G

W

W

D

H

D

N

G

A

K

R

L

V

T

I

E

P

D

Y

A

G

T

P

L

I

H

E

I

L

S

D

E

P

G

S

S

A

T

I

A

V

L

L

H

H

Y

Y

G

A

Q

Q

A

E

D

V

F

F

E

E

G
|
G

L

L

K

K

A

A

Y

Y

R

R

T

W

K

A

N

D

G

G

D

S

I

I

Q

V

L

S

F

F

R

R

P

A

D

D

R

A

N

N

A

A

A

A

R
|
R

M

L

Q

R

K

S

S

S

C

A

E

R

R

R

L

L

L

A

M

I

P

P

P

E

F

L

P

P

T

D

D

A

K

V

F

F

V

I

A

E

A

S

V

L

K

R

S

Q

V

L

V

I

K

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

G

E

T

A

L

L

Y
|
Y

L

L

R

R

P

P

L

F

M

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

L

R

F

Y

T

L

V

L

F

I

A

A

M

S

P

P

V

A

G

A

A

P

Y

V

Y

-

K

-

G

-

G

-

V

-

K

-

P

-

T

S

N

V

F

W

T

V

T

S

S

T

Y

E

Y

Y

D

V

R

R

A

A

A

C

P

P

H

G

G

G

T

T

G

G

Q

A

S

A

K
|
K

V

F

G

G

G

G

N

N

Y
|
Y

G

A

G

A

S

S

L

L

L

L

P

A

G

Q

S

A

E

E

A

A

H

A

K

E

A

N

G

G

Y

C

S

D

D

Q

V

V

I

V

Y

W

L

L

D

D

P

A

A

V

T

E

H

R

T

R

K

Y

I

I

E

E

E
|
E

A

M

G

G

S
x
G

A
x
M

N
|
N

F

I

F

F

-

F

-

V

-

L

G

G

I

S

T

G

K

G

N

S

N

A

E

R

F

L

V

V

T

T

P

P

K

E

-

L

S

S

N

G

S

S

I

L

L
|
L

P

P

S
x
G

I
|
I

T
|
T

K

R

Y

D

S

S

L

L

L

L

Y

Q

L

L

A

A

E

-

H

I

N

D

L

A

G

G

M

F

K

A

A

V

I

E

E

E

G

R

D

R

V

I

F

D

I

I

N

D

D

E

L

W

D

Q

R

K

-

K

-

A

-

A

-

A

-

G

-

E

F

I

T

T

E

E

A

V

G

F

A

A

M

C

G

G

T
|
T

A

A

A

A

V

V

I

I

A

T

P

P

I

V

G

A

G

R

I

V

E

R

Y

H

Q

G

D

A

Q

S

L

-

H

E

V

F

F

R

Y

I

S

A

E

D

T

G

E

Q

V

P

G

G

P

E

V

V

T

T

Q

M

K

A

L

L

Y

R

D

D

T

T

L

L

T

T

G

G

I

I

Q

Q

F

R

G

G

D

T

V

F

K

A

A

D

P

T

E

H

G

G

W

W

I

M

Q

A

K

R

V

L

active site: K162 (= K188)
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 (= G64), R67 (= R86), Y110 (= Y129), K162 (= K188), Y167 (= Y193), E198 (= E224), G201 (≠ S227), M202 (≠ A228), N203 (= N229), L226 (= L248), G228 (≠ S250), I229 (= I251), T230 (= T252), T272 (= T289)

2hdkB Crystal structure of cys315ala-cys318ala mutant of human mitochondrial branched chain aminotransferase (see paper)
32% identity, 95% coverage: 3:331/345 of query aligns to 18:353/363 of 2hdkB

query
sites
2hdkB

K

K

A

K

P

P

A

G

P

P

S

G

E

E

I

-

D

-

W

-

Q

-

N

P

L

L

G

V

F

F

N

G

Y

K

M

T

D

F

L

T

P

D

Y

H

R

M

F

L

L

M

A

V

H

E

Y

W

K

N

D

D

G

K

Q

G

W

W

D

G

D

Q

G

P

K

R

L

I

T

Q

E

P

D

F

A

Q

T

N

L

L

H

T

I

L

S

H

E

P

G

A

S

S

T

S

A

S

L

L

H

H

Y

Y

G

S

Q

L

A

Q

D

L

F

F

E

E

G

G

L

M

K

K

A

A

Y

F

R

K

T

G

K

K

N

D

G

Q

D

Q

I

V

Q

R

L

L

F

F

R

R

P

P

D

W

R

L

N

N

A

M

A

D

R
|
R

M

M

Q

L

K

R

S

S

C

A

E

M

R

R

L

L

L

C

M

L

P

P

P

S

F

F

P

D

T

K

D

L

K

E

F

L

V

L

A

E

A

C

V

I

K

R

S

R

V

L

V

I

K

E

A

V

N

D

A

K

D

D

Y

W

V

V

P

P

P

D

Y

-

G

A

T

A

G

G

G

T

T

S

L

L

Y

Y

L

V

R

R

P

P

L

V

M

L

I

I

G

G

V

N

G

E

E

P

N

S

I

L

G

G

V

V

H

S

P

Q

A

P

P

R

E

R

Y

A

L

L

F

L

T

F

V

V

F

I

A

L

M

C

P

P

V

V

G

G

A

A

Y

Y

Y

F

K

P

G

G

G

G

-

S

V

V

K

T

P

P

T

V

N

S

F

L

T

L

T

A

S

D

-

P

Y

A

Y

F

D

I

R

R

A

A

A

W

P

V

H

G

G

G

T

V

G

G

Q

N

S

Y

K
|
K

V

L

G

G

G

G

N

N

Y
|
Y

G

G

G

P

S

T

L

V

L

L

P

V

G

Q

S

Q

E

E

A

A

H

L

K

K

A

R

G

G

Y

C

S

E

D

Q

V

V

I

L

Y

W

L

L

D

Y

P

G

A

P

T

D

H

H

T

-

K

Q

I

L

E

T

E
|
E

A

V

G

G

S
x
T

A

M

N

N

F

I

F

F

G

V

I

Y

T

W

K

T

N

H

N

E

-

D

-

G

-

V

-

L

E

E

F

L

V

V

T

T

P

P

K

P

S

L

N

N

S

G

-

V

I

I

L
|
L

P

P

S
x
G

I
x
V

T
x
V

K

R

Y

Q

S

S

L

L

L

L

Y

D

L

M

A

A

E

Q

H

T

N

W

L

G

G

E

M

F

K

R

A

V

I

V

E

E

G

R

D

T

V

I

F

T

I

M

N

K

D

Q

L

L

D

L

R

R

F

A

T

L

E

E

A

E

G

G

A

R

M

V

-

R

-

E

-

V

-

F

-

G

-

S

G
|
G

T
|
T

A
|
A

A

A

V

Q

I

V

A

A

P

P

I

V

G

H

G

R

I

I

E

L

Y

Y

Q

K

D

D

Q

R

-

N

L

L

H

H

V

I

F

-

Y

-

S

P

E

T

T

M

E

E

V

N

G

G

P

P

-

E

V

L

T

I

Q

L

K

R

L

F

Y

Q

D

K

T

E

L

L

T

K

G

E

I

I

Q

Q

F

Y

G

G

active site: K200 (= K188)
binding 2-oxo-4-methylpentanoic acid: G310 (= G288), T311 (= T289), A312 (= A290)
binding pyridoxal-5'-phosphate: R97 (= R86), K200 (= K188), Y205 (= Y193), E235 (= E224), T238 (≠ S227), L264 (= L248), G266 (≠ S250), V267 (≠ I251), V268 (≠ T252), G310 (= G288), T311 (= T289)

7nwmA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 12 (see paper)
34% identity, 86% coverage: 35:331/345 of query aligns to 47:354/365 of 7nwmA

query
sites
7nwmA

W

W

D

E

D

K

G

P

K

H

L

I

T

K

E

P

D

L

A

Q

T

N

L

L

H

S

I

L

S

H

E

P

G

G

S

S

T

S

A

A

L

L

H

H

Y
|
Y

G

A

Q

V

A

E

D

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

T

G

K

V

N

D

G

N

D

K

I

I

Q

R

L

L

F

F

R

Q

P

P

D

N

R

L

N

N

A

M

A

D

R
|
R

M

M

Q

Y

K

R

S

S

C

A

E

V

R

R

L

A

L

T

M

L

P

P

P

V

F

F

P

D

T

K

D

E

K

E

F

L

V

L

A

E

A

C

V

I

K

Q

S

Q

V

L

V

V

K

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

G

A

T

S

L

L

Y
|
Y

L

I

R

R

P

P

L

T

M

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

L

L

F

L

T

F

V

V

F

L

A

L

M

S

P

P

V

V

G

G

A

P

Y
|
Y

Y

F

K

S

G

S

G

G

V

T

-

F

K

N

P

P

T

V

N

S

-

L

F

W

T

A

T

N

S

P

Y

K

Y

Y

D

V

R
|
R

A

A

A

W

P

K

H

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

G

G

N

N

Y
|
Y

G

G

G

S

S

S

L

L

L

F

P

A

G
x
Q

S

C

E

E

A

A

H

V

K

D

A

N

G

G

Y

C

S

Q

D
x
Q

V

V

I

L

Y

W

L

L

D

Y

P

G

A

E

T

D

H

H

T

-

K

Q

I

I

E

T

E
|
E

A

V

G

G

S
x
T

A
x
M

N

N

F

L

F

F

G

L

I

Y

T

W

K

I

N

N

-

E

-

D

-

G

-

E

N

E

E

E

F

L

V

A

T

T

P

P

K

P

S

L

N

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

L

I

L

L

Y

D

L

L

A

A

E

H

H

Q

N

W

L

G

G

E

M

F

K

K

A

V

I

S

E

E

G

R

D

Y

V

L

F

T

I

M

N

D

D

D

L

L

-

T

-

T

-

A

-

L

-

E

-

G

D

N

R

R

F

V

T

R

E

E

A

M

G

F

A

G

M

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

A

C

P

P

I

V

G

S

G

D

I

I

E

L

Y

Y

Q

K

-

G

D

E

Q

T

L

I

H

H

V

I

F

-

Y

-

S

P

E

T

T

M

E

E

V

N

G

G

P

P

-

K

V

L

T

A

Q

S

K

R

L

I

Y

L

D

S

T

K

L

L

T

T

G

D

I

I

Q

Q

F

Y

G

G

binding pyridoxal-5'-phosphate: R98 (= R86), R191 (= R178), K201 (= K188), Y206 (= Y193), E236 (= E224), T239 (≠ S227), M240 (≠ A228), L265 (= L248), G267 (≠ S250), V268 (≠ I251), T269 (= T252), G311 (= G288), T312 (= T289)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y57), F74 (= F62), Y140 (= Y129), G153 (= G142), V154 (= V143), Y172 (= Y161), Q213 (≠ G200), Q223 (≠ D210), T239 (≠ S227), A313 (= A290)

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)
34% identity, 86% coverage: 35:331/345 of query aligns to 47:354/365 of 7nweA

query
sites
7nweA

W

W

D

E

D

K

G

P

K

H

L

I

T

K

E

P

D

L

A

Q

T

N

L

L

H

S

I

L

S

H

E

P

G

G

S

S

T

S

A

A

L

L

H

H

Y
|
Y

G

A

Q

V

A

E

D

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

T

G

K

V

N

D

G

N

D

K

I

I

Q

R

L

L

F

F

R

Q

P

P

D

N

R

L

N

N

A

M

A

D

R
|
R

M

M

Q

Y

K

R

S

S

C

A

E

V

R

R

L

A

L

T

M

L

P

P

P

V

F

F

P

D

T

K

D

E

K

E

F

L

V

L

A

E

A

C

V

I

K

Q

S

Q

V

L

V

V

K

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

G

A

T

S

L

L

Y
|
Y

L

I

R

R

P

P

L

T

M

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

L

L

F

L

T

F

V

V

F

L

A

L

M

S

P

P

V

V

G

G

A

P

Y
|
Y

Y

F

K

S

G

S

G

G

V

T

-

F

K

N

P

P

T

V

N

S

-

L

F

W

T

A

T

N

S

P

Y

K

Y

Y

D

V

R

R

A

A

A

W

P

K

H

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

G

G

N

N

Y
|
Y

G

G

G

S

S

S

L

L

L

F

P

A

G
x
Q

S

C

E

E

A

A

H

V

K

D

A

N

G

G

Y

C

S

Q

D
x
Q

V

V

I

L

Y

W

L

L

D

Y

P

G

A

E

T

D

H

H

T

-

K

Q

I

I

E

T

E
|
E

A

V

G

G

S
x
T

A
x
M

N

N

F

L

F

F

G

L

I

Y

T

W

K

I

N

N

-

E

-

D

-

G

-

E

N

E

E

E

F

L

V

A

T

T

P

P

K

P

S

L

N

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

L

I

L

L

Y

D

L

L

A

A

E

H

H

Q

N

W

L

G

G

E

M

F

K

K

A

V

I

S

E

E

G

R

D

Y

V

L

F

T

I

M

N

D

D

D

L

L

-

T

-

T

-

A

-

L

-

E

-

G

D

N

R

R

F

V

T

R

E

E

A

M

G

F

A

G

M

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

A

C

P

P

I

V

G

S

G

D

I

I

E

L

Y

Y

Q

K

-

G

D

E

Q

T

L

I

H

H

V

I

F

-

Y

-

S

P

E

T

T

M

E

E

V

N

G

G

P

P

-

K

V

L

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A

Q

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R

L

I

Y

L

D

S

T

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L

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D

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G

binding pyridoxal-5'-phosphate: R98 (= R86), K201 (= K188), Y206 (= Y193), E236 (= E224), T239 (≠ S227), M240 (≠ A228), L265 (= L248), G267 (≠ S250), V268 (≠ I251), T269 (= T252), G311 (= G288), T312 (= T289)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile: Y69 (= Y57), F74 (= F62), Y140 (= Y129), G153 (= G142), V154 (= V143), Y172 (= Y161), Q213 (≠ G200), Q223 (≠ D210), T239 (≠ S227), A313 (= A290)

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)
34% identity, 86% coverage: 35:331/345 of query aligns to 47:354/365 of 7nwcA

query
sites
7nwcA

W

W

D

E

D

K

G

P

K

H

L

I

T

K

E

P

D

L

A

Q

T

N

L

L

H

S

I

L

S

H

E

P

G

G

S

S

T

S

A

A

L

L

H

H

Y

Y

G

A

Q

V

A

E

D

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

T

G

K

V

N

D

G

N

D

K

I

I

Q

R

L

L

F

F

R

Q

P

P

D

N

R

L

N

N

A

M

A

D

R
|
R

M

M

Q

Y

K

R

S

S

C

A

E

V

R

R

L

A

L

T

M

L

P

P

P

V

F

F

P

D

T

K

D

E

K

E

F

L

V

L

A

E

A

C

V

I

K

Q

S

Q

V

L

V

V

K

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

G

A

T

S

L

L

Y

Y

L

I

R

R

P

P

L

T

M

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

L

L

F

L

T

F

V

V

F

L

A

L

M

S

P

P

V

V

G

G

A

P

Y
|
Y

Y

F

K

S

G

S

G

G

V

T

-

F

K

N

P

P

T

V

N

S

-

L

F

W

T

A

T

N

S

P

Y

K

Y

Y

D

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R
|
R

A

A

A

W

P

K

H

G

G

G

T

T

G

G

Q

D

S

C

K
|
K

V

M

G

G

G

G

N

N

Y
|
Y

G

G

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S

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L

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A

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Q

S

C

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E

A

A

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x
Q

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K

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I

I

E

T

E
|
E

A

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G

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S
x
T

A
x
M

N
|
N

F

L

F

F

G

L

I

Y

T

W

K

I

N

N

-

E

-

D

-

G

-

E

N

E

E

E

F

L

V

A

T

T

P

P

K

P

S

L

N

D

S

G

-

I

I

I

L
|
L

P

P

S
x
G

I
x
V

T
|
T

K

R

Y

R

S

C

L

I

L

L

Y

D

L

L

A

A

E

H

H

Q

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G

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M

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K

K

A

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I

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E

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D

Y

V

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I

M

N

D

D

D

L

L

-

T

-

T

-

A

-

L

-

E

-

G

D

N

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F

V

T

R

E

E

A

M

G

F

A

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M

S

G
|
G

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|
T

A
|
A

A

C

V

V

I

V

A

C

P

P

I

V

G

S

G

D

I

I

E

L

Y

Y

Q

K

-

G

D

E

Q

T

L

I

H

H

V

I

F

-

Y

-

S

P

E

T

T

M

E

E

V

N

G

G

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P

-

K

V

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A

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G

binding pyridoxal-5'-phosphate: R98 (= R86), R191 (= R178), K201 (= K188), Y206 (= Y193), E236 (= E224), T239 (≠ S227), M240 (≠ A228), N241 (= N229), L265 (= L248), G267 (≠ S250), V268 (≠ I251), T269 (= T252), G311 (= G288), T312 (= T289)
binding 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione: Y172 (= Y161), Q223 (≠ D210), T239 (≠ S227), A313 (= A290)

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)
34% identity, 86% coverage: 35:331/345 of query aligns to 47:354/365 of 7nwbA

query
sites
7nwbA

W

W

D

E

D

K

G

P

K

H

L

I

T

K

E

P

D

L

A

Q

T

N

L

L

H

S

I

L

S

H

E

P

G

G

S

S

T

S

A

A

L

L

H

H

Y
|
Y

G

A

Q

V

A

E

D

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

T

G

K

V

N

D

G

N

D

K

I

I

Q

R

L

L

F

F

R

Q

P

P

D

N

R

L

N

N

A

M

A

D

R
|
R

M

M

Q

Y

K

R

S

S

C

A

E

V

R

R

L

A

L

T

M

L

P

P

P

V

F

F

P

D

T

K

D

E

K

E

F

L

V

L

A

E

A

C

V

I

K

Q

S

Q

V

L

V

V

K

K

A

L

N

D

A

Q

D

E

Y

W

V

V

P

-

P

P

Y

Y

G

S

T

T

G

S

G

A

T

S

L

L

Y
|
Y

L

I

R

R

P

P

L

T

M

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

L

L

F

L

T

F

V

V

F

L

A

L

M

S