SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_066324126.1 NCBI__GCF_900100165.1:WP_066324126.1 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)

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)
39% identity, 95% coverage: 19:355/355 of query aligns to 21:367/368 of A0R066

query
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A0R066

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R101 (= R98) 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
39% identity, 95% coverage: 19:355/355 of query aligns to 16:362/363 of 3dtgA

query
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active site: K199 (= K197)
binding O-benzylhydroxylamine: F72 (= F74), Y171 (= Y172), Y204 (= Y202)
binding pyridoxal-5'-phosphate: R96 (= R98), 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)
39% identity, 95% coverage: 19:355/355 of query aligns to 16:362/363 of 3dtfA

query
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active site: K199 (= K197)
binding sulfate ion: R96 (= R98), I266 (≠ V260), T267 (= T261), T309 (= T303)

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
38% identity, 91% coverage: 34:355/355 of query aligns to 3:334/335 of 3ht5A

query
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3ht5A

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I

T
|
T

R

R

K

D

S

S

I

L

A

Q

M

L

A

A

K

I

K

D

E

A

G

G

I

F

A

A

I

V

E

E

R

R

P

R

V

I

L

D

V

I

S

D

E

E

L

W

I

Q

E

K

G

K

I

A

K

A

N

A

G

G

S

E

L

I

K

T

E

E

I

V

F

F

G

A

A

C

G

G

T
|
T

A

A

V

V

V

I

S

T

P

P

I

V

K

A

G

R

F

V

A

R

Y

H

K

G

N

A

E

S

Y

E

F

F

E

R

L

I

P

A

E

D

I

G

E

Q

-

P

N

G

S

E

V

V

A

T

L

M

Q

A

L

L

K

R

E

D

K

T

L

L

T

T

N

G

I

I

Q

Q

H

R

K

G

L

T

A

F

E

A

D

D

P

T

F

H

G

G

W

W

T

M

V

A

K

R

I

L

active site: K171 (= K197)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R98), K171 (= K197), Y176 (= Y202), E207 (= E233), G210 (≠ T236), M211 (= M237), N212 (= N238), L235 (= L257), G237 (= G259), I238 (≠ V260), T239 (= T261), T281 (= T303)

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
37% identity, 91% coverage: 34:355/355 of query aligns to 2:325/326 of 5u3fA

query
sites
5u3fA

T

T

D

D

H

H

L

M

F

V

E

S

C

I

D

D

Y

Y

K

A

D

E

G

G

E

R

-

G

W

W

Q

H

N

N

P

A

T

R

I

V

K

I

P

P

Y

Y

A

G

P

P

F

I

M

E

M

L

D

D

P

P

S

S

S

A

R

I

V

V

F

L

H

H

Y

Y

G

A

Q

Q

A

E

I

V

F

F

E

E

G
|
G

M

L

K

K

A

A

Y

Y

K

R

D

W

D

A

N

D

N

G

D

S

I

I

W

V

L

S

F

F

R

R

P

A

D

D

E

A

N

N

V

A

K

A

R
|
R

F

L

N

R

S

S

A

A

V

R

R

R

M

L

A

A

M

I

P

P

E

E

I

L

P

P

E

D

S

A

L

V

F

F

M

I

E

E

G

S

L

L

N

R

Q

Q

L

L

L

I

K

A

L

V

D

D

E

K

A

A

W

W

I

V

K

P

K

G

G

A

L

G

G

G

-

E

N

E

S

A

L

L

Y
|
Y

I

L

R

R

P

P

F

F

M

I

I

F

A

A

T

T

G

E

Y

P

G

G

V

L

V

G

A

V

N

R

P

P

S

A

N

T

E

Q

Y

Y

K

R

F

Y

M

L

I

L

I

I

L

A

S

S

P

P

A

A

K

A

A

-

Y

-

S

-

G

-

E

P

V

V

K

S

V

V

I

W

I

V

A

S

E

T

H

E

F

Y

S

V

R

R

A

A

A

C

N

P

G

G

I

T

G

G

A

A

K
|
K

T

F

A

G

G

G

N

N

Y
|
Y

A

A

G

A

Q

S

F

L

Y

L

P

A

T

Q

S

A

L

E

A

A

N

A

K

E

D

N

G

G

F

C

Q

D

Q

Q

I

V

W

W

T

L

D

D

D

A

A

V

T

E

H

R

T

R

K

Y

L

I

E

E

E
|
E

A

M

G

G

T
x
G

M
|
M

N
|
N

V

I

F

F

R

V

I

L

N

G

D

S

-

G

-

S

-

A

T

R

L

L

V

V

T

T

A

P

P

E

T

L

S

S

E

G

R

S

I

L

L
|
L

D

P

G
|
G

V
x
I

T
|
T

R

R

K

D

S

S

I

L

A

Q

M

L

A

A

K

I

K

D

E

A

G

G

I

F

A

A

I

V

E

E

R

R

P

R

V

I

L

D

V

I

S

D

E

E

L

W

I

Q

E

K

G

K

I

A

K

A

N

A

G

G

S

E

L

I

K

T

E

E

I

V

F

F

G

A

A

C

G

G

T
|
T

A

A

V

V

V

I

S

T

P

P

I

V

K

A

G

R

F

V

A

R

Y

H

K

G

N

A

E

S

Y

E

F

F

E

R

L

I

P

A

E

D

I

G

E

Q

-

P

N

G

S

E

V

V

A

T

L

M

Q

A

L

L

K

R

E

D

K

T

L

L

T

T

N

G

I

I

Q

Q

H

R

K

G

L

T

A

F

E

A

D

D

P

T

F

H

G

G

W

W

T

M

V

A

K

R

I

L

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 (= G76), R67 (= R98), Y110 (= Y140), K162 (= K197), Y167 (= Y202), E198 (= E233), G201 (≠ T236), M202 (= M237), N203 (= N238), L226 (= L257), G228 (= G259), I229 (≠ V260), T230 (= T261), T272 (= T303)

7nxoA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 24(5-f) (see paper)
35% identity, 97% coverage: 10:353/355 of query aligns to 7:358/361 of 7nxoA

query
sites
7nxoA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y
x
F

S

S

-

F

G

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N
|
N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G

G

T
|
T

A

A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R97 (= R98), K197 (= K197), Y202 (= Y202), E232 (= E233), T235 (= T236), M236 (= M237), N237 (= N238), L261 (= L257), G263 (= G259), V264 (= V260), T265 (= T261), T308 (= T303)
binding 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: F27 (= F29), Y68 (= Y69), F73 (= F74), G152 (≠ V153), V153 (≠ A154), Y171 (= Y172), F172 (≠ Y173), Q209 (≠ T209), Q218 (= Q218), Q219 (= Q219), T235 (= T236)

7nxnA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 21(5-f) (see paper)
35% identity, 97% coverage: 10:353/355 of query aligns to 8:359/362 of 7nxnA

query
sites
7nxnA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

-

F

G

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N
|
N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G

G

T
|
T

A

A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), R188 (= R187), K198 (= K197), Y203 (= Y202), E233 (= E233), T236 (= T236), M237 (= M237), N238 (= N238), L262 (= L257), G264 (= G259), V265 (= V260), T266 (= T261), T309 (= T303)
binding 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile: F28 (= F29), Y69 (= Y69), F74 (= F74), G153 (≠ V153), V154 (≠ A154), Y172 (= Y172), Q210 (≠ T209), Q219 (= Q218), Q220 (= Q219), T236 (= T236)

7ntrA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and substrate mimic 3-phenylpropionate (see paper)
35% identity, 97% coverage: 10:353/355 of query aligns to 8:359/362 of 7ntrA

query
sites
7ntrA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V

G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y

Y

Y

F

S

S

-

F

G

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding hydrocinnamic acid: F28 (= F29), Y69 (= Y69), V154 (≠ A154), T236 (= T236), G308 (= G302), T309 (= T303), A310 (= A304)
binding pyridoxal-5'-phosphate: R98 (= R98), R188 (= R187), K198 (= K197), Y203 (= Y202), E233 (= E233), T236 (= T236), M237 (= M237), L262 (= L257), G264 (= G259), V265 (= V260), T266 (= T261), G308 (= G302), T309 (= T303)

2coiA Crystal structure of oxidized human cytosolic branched-chain aminotransferase complexed with gabapentin (see paper)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:356/358 of 2coiA

query
sites
2coiA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

V

K

D

P

F

D

D

P

N

N

L

L

N

V

F

F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R
|
R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V

G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y

Y

Y

F

S

N

G

-

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M

M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

active site: K195 (= K197)
binding [1-(aminomethyl)cyclohexyl]acetic acid: Y68 (= Y69), R141 (= R142), V153 (≠ A154), T233 (= T236), G305 (= G302), T306 (= T303), A307 (= A304)
binding pyridoxal-5'-phosphate: R97 (= R98), R185 (= R187), K195 (= K197), Y200 (= Y202), E230 (= E233), T233 (= T236), L259 (= L257), G261 (= G259), V262 (= V260), T263 (= T261), T306 (= T303)

2cogA Crystal structure of oxidized human cytosolic branched-chain aminotransferase complexed with 4-methylvalerate (see paper)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:356/358 of 2cogA

query
sites
2cogA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

V

K

D

P

F

D

D

P

N

N

L

L

N

V

F

F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V

G

A

V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

N

G

-

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M

M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G

G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

active site: K195 (= K197)
binding 4-methyl valeric acid: Y171 (= Y172), T233 (= T236), T306 (= T303), A307 (= A304)
binding pyridoxal-5'-phosphate: R97 (= R98), K195 (= K197), Y200 (= Y202), E230 (= E233), T233 (= T236), L259 (= L257), G261 (= G259), V262 (= V260), T263 (= T261), T306 (= T303)

P54687 Branched-chain-amino-acid aminotransferase, cytosolic; BCAT(c); EC 2.6.1.42 from Homo sapiens (Human) (see 2 papers)
34% identity, 97% coverage: 10:353/355 of query aligns to 29:383/386 of P54687

query
sites
P54687

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F

F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R

R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V

G

A

V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y

Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y

Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E

E

A

V

G

G

T

T

M

M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L

L

D

P

G

G

V

V

T

T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G
|
G

A

S

G

G

T

T

A

A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

S

P

-

F

-

G

D

W

W

T

T

V

I

K222 (= K197) modified: N6-(pyridoxal phosphate)lysine
G330 (= G300) to S: in dbSNP:rs1057204

7nwmA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and inhibitor compound 12 (see paper)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:362/365 of 7nwmA

query
sites
7nwmA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), 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 (= F29), Y69 (= Y69), F74 (= F74), Y140 (= Y140), G153 (≠ V153), V154 (≠ A154), Y172 (= Y172), Q213 (≠ T209), 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)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:362/365 of 7nweA

query
sites
7nweA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), 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 (= F29), Y69 (= Y69), F74 (= F74), Y140 (= Y140), G153 (≠ V153), V154 (≠ A154), Y172 (= Y172), Q213 (≠ T209), 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)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:362/365 of 7nwcA

query
sites
7nwcA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V

G

A

V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N
|
N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), 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 (= F29), Y172 (= Y172), 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)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:362/365 of 7nwbA

query
sites
7nwbA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), 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 (= F29), Y69 (= Y69), F74 (= F74), Y140 (= Y140), G153 (≠ V153), V154 (≠ A154), Y172 (= Y172), Q213 (≠ T209), Q223 (= Q219), A313 (= A304)

7nwaA Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and compound a (see paper)
34% identity, 97% coverage: 10:353/355 of query aligns to 8:362/365 of 7nwaA

query
sites
7nwaA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F

F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y

Y

I

I

R
|
R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y
x
F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V
|
V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T

Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A
x
V

G

G

T
|
T

M
|
M

N
|
N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S
x
C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R98 (= R98), 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 (= R142), G153 (≠ V153), V154 (≠ A154), Y172 (= Y172), F173 (≠ Y173), V181 (= V177), Q223 (= Q219), V237 (≠ A234), 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)
34% identity, 97% coverage: 10:353/355 of query aligns to 7:361/364 of 7nyaA

query
sites
7nyaA

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y
|
Y

G

A

Q

V

A

E

I

L

F
|
F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R97 (= R98), 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 (= F29), Y68 (= Y69), F73 (= F74), Y139 (= Y140), G152 (≠ V153), V153 (≠ A154), Y171 (= Y172), Q212 (≠ T209), 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)
34% identity, 97% coverage: 10:353/355 of query aligns to 7:361/364 of 7ny9A

query
sites
7ny9A

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R
|
R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q
|
Q

I
x
V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N
|
N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G

G

T
|
T

A

A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R97 (= R98), 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 (= F29), Y139 (= Y140), G152 (≠ V153), V153 (≠ A154), Y171 (= Y172), Q212 (≠ T209), Q221 (= Q218), Q222 (= Q219), V223 (≠ I220), T238 (= T236)

7ny2A Crystal structure of human cytosolic branched-chain aminotransferase (bcat1) in complex with plp and small molecule inhibitor compound 35 (see paper)
34% identity, 97% coverage: 10:353/355 of query aligns to 7:361/364 of 7ny2A

query
sites
7ny2A

E

D

I

L

I

I

K

V

A

T

P

P

N

A

T

T

K

I

I

L

N

K

E

E

-

K

V

P

D

D

F

P

D

N

N

N

L

L

N

V

F
|
F

G

G

S

T

V

V

F

F

T

T

D

D

H

H

L

M

F

L

E

T

C

V

D

E

Y

W

K

S

-

S

D

E

G

F

E

G

W

W

Q

E

N

K

P

P

T

H

I

I

K

K

P

P

Y

L

A

Q

P

N

F

L

M

S

M

L

D

H

P

P

S

G

S

S

R

S

V

A

F

L

H

H

Y

Y

G

A

Q

V

A

E

I

L

F

F

E

E

G

G

M

L

K

K

A

A

Y

F

K

R

D

G

D

V

N

D

N

N

D

K

I

I

W

R

L

L

F

F

R

Q

P

P

D

N

E

L

N

N

V

M

K

D

R
|
R

F

M

N

Y

S

R

S

S

A

A

V

V

R

R

M

A

A

T

M

L

P

P

E

V

I

F

P

D

E

K

S

E

L

E

F

L

M

L

E

E

G

C

L

I

N

Q

Q

Q

L

L

L

V

K

K

L

L

D

D

E

Q

A

E

W

W

I

V

K

P

K

Y

G

S

L

T

G

S

N

A

S

S

L

L

Y
|
Y

I

I

R

R

P

P

F

T

M

F

I

I

A

G

T

T

G

E

Y

P

G

S

V

L

V
x
G

A
x
V

N

K

P

K

S

P

N

T

E

K

Y

A

K

L

F

L

M

F

I

V

I

L

L

L

S

S

P

P

A

V

K

G

A

P

Y
|
Y

Y

F

S

S

G

S

-

G

-

T

-

F

-

N

E

P

V

V

K

S

V

L

I

W

I

A

A

N

E

P

H

K

F

Y

S

V

R

R

A

A

A

W

N

K

G

G

I

T

G

G

A

D

A

C

K
|
K

T

M

A

G

G

G

N

N

Y
|
Y

A

G

G

S

Q

S

F

L

Y

F

P

A

T
x
Q

S

C

L

E

A

A

N

V

K

D

D

N

G

G

F

C

Q

Q

Q
|
Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

E

T

D

H

H

T

-

K

Q

L

I

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N

N

V

L

F

F

-

L

F

Y

R

W

I

I

N

N

D

E

T

D

-

G

-

E

L

L

V

A

T

T

A

P

P

P

T

L

S

D

E

G

R

I

I

I

L
|
L

D

P

G
|
G

V
|
V

T
|
T

R

R

K

R

S

C

I

I

I

L

A

D

M

L

A

A

K

H

K

Q

E

W

G

G

-

E

I

F

A

K

I

V

E

S

E

E

R

R

P

Y

V

L

L

T

V

M

S

D

E

D

L

L

I

T

E

T

G

A

I

L

K

E

N

G

G

N

S

R

L

V

K

R

E

E

I

M

F

F

G

G

A

S

G

G

T
|
T

A
|
A

A

C

V

V

S

C

P

P

I

V

K

S

G

D

F

I

A

L

Y

Y

K

K

N

G

E

E

Y

T

F

I

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

K

V

L

A

A

L

S

Q

R

L

I

K

L

E

S

K

K

L

L

T

T

N

D

I

I

Q

Q

H

Y

K

G

L

R

A

E

E

E

D

R

P

-

F

-

G

D

W

W

T

T

V

I

binding pyridoxal-5'-phosphate: R97 (= R98), K200 (= K197), Y205 (= Y202), E235 (= E233), T238 (= T236), M239 (= M237), L264 (= L257), G266 (= G259), V267 (= V260), T268 (= T261), T311 (= T303)
binding 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile: F27 (= F29), Y139 (= Y140), G152 (≠ V153), V153 (≠ A154), Y171 (= Y172), Q212 (≠ T209), Q222 (= Q219), A312 (= A304)

5i5sA X-ray crystal structure at 2.06a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a benzisoxazole compound and an internal aldimine linked plp cofactor. (see paper)
33% identity, 94% coverage: 8:342/355 of query aligns to 9:350/361 of 5i5sA

query
sites
5i5sA

K

Q

I

L

E

E

I

M

I

T

K

Q

A

K

P

P

N

H

T

K

K

K

I

P

N

G

E

E

V

-

D

-

F

-

D

-

N

P

L

L

N

V

F
|
F

G

G

S

K

V

T

F

F

T

T

D

D

H

H

L

M

F

L

E

M

C

V

D

E

Y

W

K

N

D

D

G

K

E

G

W

W

Q

G

N

Q

P

P

T

R

I

I

K

Q

P

P

Y

F

A

Q

P

N

F

L

M

T

M

L

D

H

P

P

S

A

S

S

R

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F
|
F

E

E

G

G

M

M

K

K

A

A

Y

F

K

K

D

G

D

K

N

D

N

Q

D

Q

I

V

W

R

L

L

F

F

R

R

P

P

D

W

E

L

N

N

V

M

K

D

R
|
R

F

M

N

L

S

R

S

S

A

A

V

M

R

R

M

L

A

C

M

L

P

P

E

S

I

F

P

D

E

K

S

L

L

E

F

L

M

L

E

E

G

C

L

I

N

R

Q

R

L

L

L

I

K

E

L

V

D

D

E

K

A

D

W

W

I

V

K

P

K

D

G

A

L

A

G

G

N

T

S

S

L

L

Y

Y

I

V

R

R

P

P

F

V

M

L

I

I

A

G

T

N

G

E

Y

P

G

S

V

L

-

G

V

V

A

S

N

Q

P

P

S

T

N

R

E

A

Y

L

K

L

F

F

M

-

I

V

I

I

L

L

S

C

P

P

A

V

K

G

A

A

Y

Y

Y

F

S

P

G

G

-

G

-

S

-

V

-

T

E

P

V

V

K

S

V

L

I

L

I

A

A

D

E

P

H

A

F

F

S

I

R
|
R

A

A

A

W

N

V

G

G

I

V

G

G

A

N

A

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

G

P

Q

T

F

V

Y

L

P

V

T

Q

S

Q

L

E

A

A

N

L

K

K

D

R

G

G

F

C

Q

E

Q

Q

I

V

I

L

W

W

T

L

D

Y

D

G

A

P

T

D

H

H

T

-

K

Q

L

L

E

T

E
|
E

A

V

G

G

T
|
T

M
|
M

N
|
N

V

I

F

F

F

V

R

Y

I

W

N

T

D

H

-

E

-

D

-

G

-

V

-

L

T

E

L

L

V

V

T

T

A

P

P

P

T

L

S

N

E

G

R

V

I

I

L
|
L

D

P

G
|
G

V
|
V

T
x
V

R

R

K

Q

S

S

I

L

A

D

M

M

A

A

K

Q

K

T

E

W

G

G

-

E

I

F

A

R

I

V

E

V

E

E

R

R

P

T

V

I

L

T

V

M

S

K

E

Q

L

L

I

L

E

R

G

A

I

L

K

E

N

E

G

G

S

R

L

V

K

R

E

E

I

V

F

F

G

G

A

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

V

V

S

C

P

P

I

V

K

H

G

R

F

I

A

L

Y

Y

K

K

N

D

E

R

Y

N

F

L

E

H

L

I

P

P

E

T

I

M

E

E

N

N

S

G

-

P

-

E

V

L

A

I

L

L

Q

R

L

F

K

Q

E

K

K

E

L

L

T

K

N

E

I

I

Q

Q

H

Y

active site: K198 (= K197)
binding 2-(1,2-benzoxazol-3-yl)ethanoic acid: F26 (= F29), F71 (= F74), K198 (= K197), T236 (= T236), T309 (= T303), A310 (= A304)
binding pyridoxal-5'-phosphate: R95 (= R98), R188 (= R187), K198 (= K197), Y203 (= Y202), E233 (= E233), T236 (= T236), M237 (= M237), N238 (= N238), L262 (= L257), G264 (= G259), V265 (= V260), V266 (≠ T261), G308 (= G302), T309 (= T303)

Query Sequence

>WP_066324126.1 NCBI__GCF_900100165.1:WP_066324126.1
MSTTQANKIEIIKAPNTKINEVDFDNLNFGSVFTDHLFECDYKDGEWQNPTIKPYAPFMM
DPSSRVFHYGQAIFEGMKAYKDDNNDIWLFRPDENVKRFNSSAVRMAMPEIPESLFMEGL
NQLLKLDEAWIKKGLGNSLYIRPFMIATGYGVVANPSNEYKFMIILSPAKAYYSGEVKVI
IAEHFSRAANGGIGAAKTAGNYAGQFYPTSLANKDGFQQIIWTDDATHTKLEEAGTMNVF
FRINDTLVTAPTSERILDGVTRKSIIAMAKKEGIAIEERPVLVSELIEGIKNGSLKEIFG
AGTAAVVSPIKGFAYKNEYFELPEIENSVALQLKEKLTNIQHKLAEDPFGWTVKI

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