Literature summary for 2.6.1.42 extracted from

Borthwick, J.A.; Ancellin, N.; Bertrand, S.M.; Bingham, R.P.; Carter, P.S.; Chung, C.W.; Churcher, I.; Dodic, N.; Fournier, C.; Francis, P.L.; Hobbs, A.; Jamieson, C.; Pickett, S.D.; Smith, S.E.; Somers, D.O.; Spitzfaden, C.; Suckling, C.J.; Young, R.J.
Structurally diverse mitochondrial branched chain aminotransferase (BCATm) leads with varying binding modes identified by fragment screening (2016), J. Med. Chem., 59, 2452-2467 .

Cloned(Commentary)

Cloned (Comment)	Organism
gene BCAT, isozyme BCATm (residues 28-392) deleted of the N-terminal mitochondria signal peptide (residues 1-27) is cloned into kanamycin resistant pET28a with an N-terminal 6-His-thrombin cleavage site and transformed into Escherichia coli strain BL21Star (DE3)	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
7.6 mg/ml purified protein in 25 mM HEPES, pH 7.5, 25 mM NaCl, 20 mM DTT, 20 mM EDTA, 2.5% glycerol, hanging drop vapor diffusion method at 20°C with microseeding in a protein to microseed solution of drop ratio of 1:1, soaking of crystals in reservoir solution containing 10-20 mM DTT and inhibitors, X-ray diffraction structure determination and analysis	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
(1,2-benzoxazol-3-yl)acetic acid	-	Homo sapiens
(2,1,3-benzothiadiazol-5-yl)methanol	-	Homo sapiens
2-(2-((4-(1H-pyrazol-3-yl)phenyl)carbamoyl)phenyl)acetic acid	-	Homo sapiens
2-(2-(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamido)phenyl)acetic Acid	-	Homo sapiens
2-(4-(1H-pyrazol-3-yl)phenyl)-3,4-dihydroisoquinolin-1(2H)-one	-	Homo sapiens
2-(methanesulfonyl)-N-phenylbenzamide	-	Homo sapiens
2-ethoxy-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]-pyrimidine-3-carbonitrile	-	Homo sapiens
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide	-	Homo sapiens
3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid	-	Homo sapiens
3,5-dimethyl-4-oxo-N-phenyl-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
3,5-dimethyl-6-(piperidine-1-carbonyl)thieno[2,3-d]-pyrimidin-4(3H)-one	-	Homo sapiens
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide	-	Homo sapiens
3-methyl-2-[(quinazolin-4-yl)sulfanyl]butanoic acid	-	Homo sapiens
3-phenylthiophene-2-carboxamide	-	Homo sapiens
4-(1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzamide	-	Homo sapiens
5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile	-	Homo sapiens
5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile	-	Homo sapiens
5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid	-	Homo sapiens
5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(2-sulfamoylphenyl)-3,4-dihydrothieno-[2,3-d]pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(m-tolyl)-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(o-tolyl)-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(p-tolyl)-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(pyridin-3-yl)-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-(thiophen-2-yl)-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-4-oxo-N-phenyl-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
5-methyl-N-(2-(methylsulfonyl )phenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide	-	Homo sapiens
6-phenoxypyridazin-3-amine	-	Homo sapiens
ethyl 2-(2-(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamido)phenyl)acetate	-	Homo sapiens
additional information	synthesis and evaluation of diverse inhibitors, pIC50 values, overview	Homo sapiens
N-(2-(1H-pyrazol-3-yl)pyrimidin-5-yl)benzamide	-	Homo sapiens
N-(2-(hydroxymethyl)phenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide	-	Homo sapiens
N-(2-hydroxy-2-phenylethyl)urea	-	Homo sapiens
N-(4-(1H-pyrazol-3-yl)phenyl)benzamide	-	Homo sapiens
N-(4-carbamoylphenyl)-3,4-dichlorobenzamide	-	Homo sapiens
N-(4-carbamoylphenyl)benzamide	-	Homo sapiens
N-(isoxazol-3-yl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
N-(pyrimidin-5-yl)benzamide	-	Homo sapiens
N-cyclopentyl-3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxamide	-	Homo sapiens
N-phenylbenzamide	-	Homo sapiens
[(3,6,7-trimethylquinolin-2-yl)sulfanyl]acetic acid	-	Homo sapiens
[1,1'-biphenyl]-2-carboxamide	-	Homo sapiens
[2-(phenylcarbamoyl)phenyl]acetic acid	-	Homo sapiens

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
mitochondrion	-	Homo sapiens	5739	-

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	O15382	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant His-tagged isozyme BCATm (residues 28-392) from Escherichia coli strain BL21Star (DE3) by nickel affinity chromatography, ultrafiltration, and gel filtration, followed by tag cleavage through thrombin, hydrophic interaction chromatography, and dialysis	Homo sapiens

Subunits

Subunits	Comment	Organism
homodimer	-	Homo sapiens

Synonyms

Synonyms	Comment	Organism
BCATm	-	Homo sapiens
mitochondrial branched chain aminotransferase	-	Homo sapiens