5CR5

X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.

Summary for 5CR5

• Entry DOI: 10.2210/pdb5cr5/pdb
• Descriptor: Branched-chain-amino-acid aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-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: 85623.51

Authors

Somers, D.O. (deposition date: 2015-07-22, release date: 2015-08-12, Last modification date: 2015-09-02)

• Primary citation: Deng, H.,Zhou, J.,Sundersingh, F.S.,Summerfield, J.,Somers, D.,Messer, J.A.,Satz, A.L.,Ancellin, N.,Arico-Muendel, C.C.,Sargent Bedard, K.L.,Beljean, A.,Belyanskaya, S.L.,Bingham, R.,Smith, S.E.,Boursier, E.,Carter, P.,Centrella, P.A.,Clark, M.A.,Chung, C.W.,Davie, C.P.,Delorey, J.L.,Ding, Y.,Franklin, G.J.,Grady, L.C.,Herry, K.,Hobbs, C.,Kollmann, C.S.,Morgan, B.A.,Pothier Kaushansky, L.J.,Zhou, Q.; Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.; Acs Med.Chem.Lett., 6:919-924, 2015; PubMed: 26288694; DOI: 10.1021/acsmedchemlett.5b00179

Experimental method

X-RAY DIFFRACTION (1.61 Å)