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

Summary for 1YSW

Related1G5M 1GJH 1YSG 1YSI 1YSX 1YSN
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 Keywordscomplex, apoptosis
Biological sourceHomo sapiens (human)
Cellular locationMitochondrion outer membrane; Single-pass membrane protein P10415
Total number of polymer chains1
Total molecular weight19850.13
Primary citation
Oltersdorf, T.,Elmore, S.W.,Shoemaker, A.R.,Armstrong, R.C.,Augeri, D.J.,Belli, B.A.,Bruncko, M.,Deckwerth, T.L.,Dinges, J.,Hajduk, P.J.,Joseph, M.K.,Kitada, S.,Korsmeyer, S.J.,Kunzer, A.R.,Letai, A.,Li, C.,Mitten, M.J.,Nettesheim, D.G.,Ng, S.,Nimmer, P.M.,O'Connor, J.M.,Oleksijew, A.,Petros, A.M.,Reed, J.C.,Shen, W.,Tahir, S.K.,Thompson, C.B.,Tomaselli, K.J.,Wang, B.,Wendt, M.D.,Zhang, H.,Fesik, S.W.,Rosenberg, S.H.
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435:677-681, 2005
PubMed: 15902208 (PDB entries with the same primary citation)
DOI: 10.1038/nature03579
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers182.5%38.6%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
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