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 Cited by PubMed: 26288694DOI: 10.1021/acsmedchemlett.5b00179 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.61 Å) |
Structure validation
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