SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_093394637.1 NCBI__GCF_900114975.1:WP_093394637.1 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)

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
52% identity, 90% coverage: 30:353/360 of query aligns to 3:331/335 of 3ht5A

query
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3ht5A

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active site: K171 (= K197)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R95), K171 (= K197), Y176 (= Y202), E207 (= E233), G210 (≠ T236), M211 (= M237), N212 (= N238), L235 (= L257), G237 (= G259), I238 (≠ V260), T239 (= T261), T281 (= T303)

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)
51% identity, 91% coverage: 25:353/360 of query aligns to 31:364/368 of A0R066

query
sites
A0R066

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R101 (= R95) binding pyridoxal 5'-phosphate
Y209 (= Y202) binding pyridoxal 5'-phosphate
K299 (≠ E288) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T314 (= T303) binding pyridoxal 5'-phosphate

3dtgA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
51% identity, 91% coverage: 25:353/360 of query aligns to 26:359/363 of 3dtgA

query
sites
3dtgA

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active site: K199 (= K197)
binding O-benzylhydroxylamine: F72 (= F71), Y171 (= Y169), Y204 (= Y202)
binding pyridoxal-5'-phosphate: R96 (= R95), R189 (= R187), K199 (= K197), Y204 (= Y202), E235 (= E233), G238 (≠ T236), L263 (= L257), I266 (≠ V260), T267 (= T261), T309 (= T303)

3dtfA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design (see paper)
51% identity, 91% coverage: 25:353/360 of query aligns to 26:359/363 of 3dtfA

query
sites
3dtfA

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P

P

P

E

L

L

T

S

G

G

S

S

I

L

L

L

P

P

G

G

V
x
I

T
|
T

R

R

E

D

S

S

V

L

I

L

H

Q

L

L

A

A

R

T

H

D

W

A

G

G

I

F

K

A

V

V

E

E

E

E

R

R

P

K

I

I

T

D

I

V

D

D

E

E

V

W

I

Q

E

K

R

K

A

A

K

G

D

A

G

G

S

E

L

I

K

T

E

E

C

V

F

F

G

A

T

C

G

G

T
|
T

A

A

A

A

V

V

I

I

S

T

P

P

V

V

S

S

E

H

L

V

C

K

Y

H

K

H

E

D

E

G

R

E

V

F

T

T

I

I

A

A

D

D

G

G

S

Q

V

P

G

G

E

E

W

I

S

T

R

M

K

A

L

L

Y

R

D

D

E

T

L

L

V

T

G

G

I

I

Q

Q

Y

R

G

G

E

T

K

F

E

A

D

D

I

T

F

H

G

G

W

W

V

M

active site: K199 (= K197)
binding sulfate ion: R96 (= R95), I266 (≠ V260), T267 (= T261), T309 (= T303)

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
51% identity, 90% coverage: 30:353/360 of query aligns to 2:322/326 of 5u3fA

query
sites
5u3fA

S

T

D

D

H

H

M

M

F

V

I

S

M

I

N

D

Y

Y

D

A

E

E

G

G

R

R

G

G

W

W

H

H

D

N

A

A

R

R

I

V

V

I

P

P

Y

Y

Q

G

N

P

L

I

S

E

L

L

D

D

P

P

A

S

A

A

M

I

V

V

L

L

H

H

Y

Y

G

A

Q

Q

G

E

I

V

F

F

E

E

G
|
G

L

L

K

K

A

A

Y

Y

R

R

A

W

S

A

D

D

G

G

R

S

I

I

L

V

L

S

F

F

R

R

P

A

E

D

K

A

N

N

W

A

E

A

R
|
R

F

L

N

R

K

S

S

S

A

A

R

R

R

R

M

L

C

A

M

I

P

P

E

E

I

L

D

P

P

D

A

A

V

V

L

F

M

I

Q

E

S

S

L

L

E

R

A

Q

L

L

L

I

R

A

L

V

D

D

A

K

D

A

W

W

V

V

P

P

R

G

S

A

R

G

G

G

-

E

T

E

S

A

L

L

Y
|
Y

I

L

R

R

P

P

T

F

M

I

F

F

A

A

T

T

E

E

P

P

A

G

L

L

G

G

V

V

R

R

P

P

A

A

K

T

Q

Q

Y

Y

V

R

Y

Y

Y

L

V

L

I

I

T

A

G

S

P

P

V

A

G

A

P

-

Y

-

Y

-

P

-

E

-

G

-

F

-

N

-

P

P

V

V

K

S

I

V

Y

W

V

V

S

S

D

T

E

E

Y

Y

V

V

R

R

A

A

V

C

R

P

G

G

G

G

V

T

G

G

E

A

A

A

K
|
K

T

F

M

G

G

G

N

N

Y
|
Y

A

A

A

A

S

S

L

L

Y

L

A

A

A

Q

E

A

I

E

A

A

K

A

K

E

K

N

G

G

Y

C

T

D

Q

Q

V

V

L

V

W

W

L

L

D

D

A

A

V

V

E

E

R

R

R

R

Y

Y

V

I

E

E

E
|
E

V

M

G

G

T
x
G

M
|
M

N
|
N

I

I

F

F

F

F

R

V

I

L

-

G

-

S

-

G

-

G

E

S

D

A

T

R

L

L

V

V

T

T

P

P

P

E

L

L

T

S

G

G

S

S

I

L

L
|
L

P

P

G
|
G

V
x
I

T
|
T

R

R

E

D

S

S

V

L

I

L

H

Q

L

L

A

A

R

I

H

D

W

A

G

G

I

F

K

A

V

V

E

E

E

E

R

R

P

R

I

I

T

D

I

I

D

D

E

E

V

W

I

Q

E

K

R

K

A

A

K

A

D

A

G

G

S

E

L

I

K

T

E

E

C

V

F

F

G

A

T

C

G

G

T
|
T

A

A

A

A

V

V

I

I

S

T

P

P

V

V

S

A

E

R

L

V

C

R

Y

H

K

G

E

A

E

S

R

E

V

F

T

R

I

I

A

A

D

D

G

G

S

Q

V

P

G

G

E

E

W

V

S

T

R

M

K

A

L

L

Y

R

D

D

E

T

L

L

V

T

G

G

I

I

Q

Q

Y

R

G

G

E

T

K

F

E

A

D

D

I

T

F

H

G

G

W

W

V

M

active site: K162 (= K197)
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 (= G73), R67 (= R95), Y110 (= Y137), K162 (= K197), Y167 (= Y202), E198 (= E233), G201 (≠ T236), M202 (= M237), N203 (= N238), L226 (= L257), G228 (= G259), I229 (≠ V260), T230 (= T261), T272 (= T303)

7nwmA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 12 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 8:357/365 of 7nwmA

query
sites
7nwmA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

I

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R
|
R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A
x
Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N

N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R95), R191 (= R187), K201 (= K197), Y206 (= Y202), E236 (= E233), T239 (= T236), M240 (= M237), L265 (= L257), G267 (= G259), V268 (= V260), T269 (= T261), G311 (= G302), T312 (= T303)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F25), Y69 (= Y66), F74 (= F71), Y140 (= Y137), G153 (= G150), V154 (= V151), Y172 (= Y169), Q213 (≠ A209), Q223 (= Q219), T239 (= T236), A313 (= A304)

7nweA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 10 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 8:357/365 of 7nweA

query
sites
7nweA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

I

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R

R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A
x
Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N

N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R95), K201 (= K197), Y206 (= Y202), E236 (= E233), T239 (= T236), M240 (= M237), L265 (= L257), G267 (= G259), V268 (= V260), T269 (= T261), G311 (= G302), T312 (= T303)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F25), Y69 (= Y66), F74 (= F71), Y140 (= Y137), G153 (= G150), V154 (= V151), Y172 (= Y169), Q213 (≠ A209), Q223 (= Q219), T239 (= T236), A313 (= A304)

7nwcA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 2 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 8:357/365 of 7nwcA

query
sites
7nwcA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

I

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y

Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G

G

V

V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R
|
R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A

Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N
|
N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R95), R191 (= R187), K201 (= K197), Y206 (= Y202), E236 (= E233), T239 (= T236), M240 (= M237), N241 (= N238), L265 (= L257), G267 (= G259), V268 (= V260), T269 (= T261), G311 (= G302), T312 (= T303)
binding 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione: F28 (= F25), Y172 (= Y169), Q223 (= Q219), T239 (= T236), A313 (= A304)

7nwbA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 1 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 8:357/365 of 7nwbA

query
sites
7nwbA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

I

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R
|
R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A
x
Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N

N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R95), R191 (= R187), K201 (= K197), Y206 (= Y202), E236 (= E233), T239 (= T236), M240 (= M237), L265 (= L257), G267 (= G259), V268 (= V260), T269 (= T261), G311 (= G302), T312 (= T303)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F25), Y69 (= Y66), F74 (= F71), Y140 (= Y137), G153 (= G150), V154 (= V151), Y172 (= Y169), Q213 (≠ A209), Q223 (= Q219), A313 (= A304)

7nwaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and compound a (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 8:357/365 of 7nwaA

query
sites
7nwaA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F

F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

I

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y

Y

I

I

R
|
R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y
x
F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V
|
V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R

R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A

Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V
|
V

G

G

T
|
T

M
|
M

N
|
N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S
x
C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R98 (= R95), K201 (= K197), Y206 (= Y202), E236 (= E233), T239 (= T236), N241 (= N238), L265 (= L257), G267 (= G259), V268 (= V260), T269 (= T261), T312 (= T303)
binding 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile: R142 (= R139), G153 (= G150), V154 (= V151), Y172 (= Y169), F173 (≠ Y170), V181 (= V177), Q223 (= Q219), V237 (= V234), T239 (= T236), M240 (= M237), G311 (= G302), A313 (= A304), C317 (≠ S308)

7nyaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor bay-069 (compound 36) (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 7:356/364 of 7nyaA

query
sites
7nyaA

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y
|
Y

G

A

Q

V

G

E

I

L

F
|
F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R
|
R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A
x
Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T

Q

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N

N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R97 (= R95), R190 (= R187), K200 (= K197), Y205 (= Y202), E235 (= E233), T238 (= T236), M239 (= M237), L264 (= L257), G266 (= G259), V267 (= V260), T268 (= T261), G310 (= G302), T311 (= T303)
binding 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione: F27 (= F25), Y68 (= Y66), F73 (= F71), Y139 (= Y137), G152 (= G150), V153 (= V151), Y171 (= Y169), Q212 (≠ A209), Q222 (= Q219), T238 (= T236), A312 (= A304)

7ny9A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 38 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 7:356/364 of 7ny9A

query
sites
7ny9A

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

I

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-

T

F

F

N

N

P

P

V

V

K

S

I

L

Y

W

V

A

S

N

D

P

E

K

Y

Y

V

V

R
|
R

A

A

V

W

R

K

G

G

G

G

V

T

G

G

E

D

A

C

K
|
K

T

M

M

G

G

G

N

N

Y
|
Y

A

G

A

S

S

S

L

L

Y

F

A

A

A
x
Q

E

C

I

E

A

A

K

V

K

D

K

N

G

G

Y

C

T
x
Q

Q
|
Q

V
|
V

L

L

W

W

L

L

D

Y

A

G

V

-

E

E

R

D

R

H

Y

Q

V

I

E

T

E
|
E

V

V

G

G

T
|
T

M
|
M

N
|
N

I

L

F

F

F

L

R

Y

I

W

-

I

-

N

-

E

-

D

-

G

E

E

D

E

T

E

L

L

V

A

T

T

P

P

P

P

L

L

T

D

G

G

S

I

I

I

L
|
L

P

P

G
|
G

V
|
V

T
|
T

R

R

E

R

S

C

V

I

I

L

H

D

L

L

A

A

R

H

H

Q

W

W

G

G

-

E

I

F

K

K

V

V

E

S

E

E

R

R

P

Y

I

L

T

T

I

M

D

D

E

D

V

L

I

T

E

T

R

A

A

L

K

E

D

G

G

N

S

R

L

V

K

R

E

E

C

M

F

F

G

G

T

S

G

G

T
|
T

A

A

A

C

V

V

I

V

S

C

P

P

V

V

S

S

E

D

L

I

C

L

Y

Y

K

K

E

G

E

E

R

T

V

I

T

H

I

I

A

P

D

T

G

M

S

E

V

N

G

G

-

P

E

K

W

L

S

A

R

S

K

R

L

I

Y

L

D

S

E

K

L

L

V

T

G

D

I

I

Q

Q

Y

Y

G

G

E

R

K

E

E

E

binding pyridoxal-5'-phosphate: R97 (= R95), R190 (= R187), K200 (= K197), Y205 (= Y202), E235 (= E233), T238 (= T236), M239 (= M237), N240 (= N238), L264 (= L257), G266 (= G259), V267 (= V260), T268 (= T261), T311 (= T303)
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 (= F25), Y139 (= Y137), G152 (= G150), V153 (= V151), Y171 (= Y169), Q212 (≠ A209), Q221 (≠ T218), Q222 (= Q219), V223 (= V220), T238 (= T236)

7ny2A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 35 (see paper)
43% identity, 96% coverage: 2:347/360 of query aligns to 7:356/364 of 7ny2A

query
sites
7ny2A

E

D

I

L

K

I

V

V

M

T

P

P

A

A

G

T

E

I

S

L

E

K

R

E

R

K

P

P

K

D

P

P

K

N

D

N

E

-

S

-

K

-

L

L

V

V

F
|
F

G

G

T

T

V

V

F

F

S

T

D

D

H

H

M

M

F

L

I

T

M

V

N

E

Y

W

D

S

E

S

G

E

R

F

G

G

W

W

H

E

D

K

A

P

R

H

I

I

V

K

P

P

Y

L

Q

Q

N

N

L

L

S

S

L

L

D

H

P

P

A

G

A

S

M

S

V

A

L

L

H

H

Y

Y

G

A

Q

V

G

E

I

L

F

F

E

E

G

G

L

L

K

K

A

A

Y

F

R

R

A

G

S

V

D

D

G

N

R

K

I

I

L

R

L

L

F

F

R

Q

P

P

E

N

K

L

N

N

W

M

E

D

R
|
R

F

M

N

Y

K

R

S

S

A

A

R

V

R

R

M

A

C

T

M

L

P

P

E

V

I

F

D

D

P

K

A

E

V

E

L

L

M

L

Q

E

S

C

L

I

E

Q

A

Q

L

L

L

V

R

K

L

L

D

D

A

Q

D

E

W

W

V

V

P

P

R

Y

S

S

R

T

G

S

T

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

T

T

M

F

F

I

A

G

T

T

E

E

P

P

A

S

L

L

G
|
G

V
|
V

R

K

P

K

A

P

K

T

Q

K

Y

A

V

L

Y

L

Y

F

V

V

I

L

T

L

G

S

P

P

V

V

G

G

P

P

Y
|
Y

Y

F

P

S

E

S

G

G

-