5HNE

X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR

Summary for 5HNE

• Entry DOI: 10.2210/pdb5hne/pdb
• Related: 5CR5
• Descriptor: Branched-chain-amino-acid aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, ... (7 entities in total)
• Functional Keywords: fold type iv, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform A: Mitochondrion. Isoform B: Cytoplasm: O15382
• Total number of polymer chains: 2
• Total formula weight: 85743.60

Authors

Somers, D.O. (deposition date: 2016-01-18, release date: 2016-05-04)

• Primary citation: Deng, H.,Zhou, J.,Sundersingh, F.,Messer, J.A.,Somers, D.O.,Ajakane, M.,Arico-Muendel, C.C.,Beljean, A.,Belyanskaya, S.L.,Bingham, R.,Blazensky, E.,Boullay, A.B.,Boursier, E.,Chai, J.,Carter, P.,Chung, C.W.,Daugan, A.,Ding, Y.,Herry, K.,Hobbs, C.,Humphries, E.,Kollmann, C.,Nguyen, V.L.,Nicodeme, E.,Smith, S.E.,Dodic, N.,Ancellin, N.; Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.; Acs Med.Chem.Lett., 7:379-384, 2016; PubMed: 27096045; DOI: 10.1021/acsmedchemlett.5b00389

Experimental method

X-RAY DIFFRACTION (2.04 Å)