Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand

Summary for 2O21

DescriptorApoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE (2 entities in total)
Functional Keywordsapoptosis, complex, bcl
Biological sourceHomo sapiens (human)
Cellular locationMitochondrion outer membrane; Single-pass membrane protein P10415
Total number of polymer chains1
Total molecular weight19850.13
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 outliers162.5%38.6%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures

More Asymmetric unit images

Molmil generated image of 2o21
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Molmil generated image of 2o21
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rotated about y axis by 90°