5BWX

X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.

Summary for 5BWX

• Entry DOI: 10.2210/pdb5bwx/pdb
• Related: 5BWR 5BWT 5BWU 5BWV 5BWW
• Descriptor: Branched-chain-amino-acid aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... (8 entities in total)
• Functional Keywords: fold type iv, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 86081.07

Authors

Somers, D.O. (deposition date: 2015-06-08, release date: 2015-07-01, Last modification date: 2019-06-12)

• Primary citation: Bertrand, S.M.,Ancellin, N.,Beaufils, B.,Bingham, R.P.,Borthwick, J.A.,Boullay, A.B.,Boursier, E.,Carter, P.S.,Chung, C.W.,Churcher, I.,Dodic, N.,Fouchet, M.H.,Fournier, C.,Francis, P.L.,Gummer, L.A.,Herry, K.,Hobbs, A.,Hobbs, C.I.,Homes, P.,Jamieson, C.,Nicodeme, E.,Pickett, S.D.,Reid, I.H.,Simpson, G.L.,Sloan, L.A.,Smith, S.E.,Somers, D.O.,Spitzfaden, C.,Suckling, C.J.,Valko, K.,Washio, Y.,Young, R.J.; The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.; J.Med.Chem., 58:7140-7163, 2015; PubMed: 26090771; DOI: 10.1021/acs.jmedchem.5b00313

Experimental method

X-RAY DIFFRACTION (1.703 Å)