Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand

Summary for 2O2N

Related2O1Y 2O21 2O22 2O2F 2O2M
DescriptorApoptosis regulator Bcl-X, 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE (2 entities in total)
Functional Keywordsapoptosis, complex, bcl
Biological sourceHomo sapiens (human)
Cellular locationMitochondrion membrane; Single-pass membrane protein (By similarity) Q07817
Total number of polymer chains1
Total molecular weight16821.8
Primary citation
Bruncko, M.,Oost, T.K.,Belli, B.A.,Ding, H.,Joseph, M.K.,Kunzer, A.,Martineau, D.,McClellan, W.J.,Mitten, M.,Ng, S.C.,Nimmer, P.M.,Oltersdorf, T.,Park, C.M.,Petros, A.M.,Shoemaker, A.R.,Song, X.,Wang, X.,Wendt, M.D.,Zhang, H.,Fesik, S.W.,Rosenberg, S.H.,Elmore, S.W.
Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50:641-662, 2007
PubMed: 17256834 (PDB entries with the same primary citation)
DOI: 10.1021/jm061152t
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers134.2%13.0%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
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