NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP

Summary for 1TFT

Related1tfq 1g3f
DescriptorBaculoviral IAP repeat-containing protein 4, ZINC ION, 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE (3 entities in total)
Functional Keywordscomplex, ligand-protein, apoptosis, bir, xiap
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P98170
Total number of polymer chains1
Total molecular weight14025.05
Primary citation
Oost, T.K.,Sun, C.,Armstrong, R.C.,Al-Assaad, A.S.,Betz, S.F.,Deckwerth, T.L.,Ding, H.,Elmore, S.W.,Meadows, R.P.,Olejniczak, E.T.,Oleksijew, A.K.,Oltersdorf, T.,Rosenberg, S.H.,Shoemaker, A.R.,Tomaselli, K.J.,Zou, H.,Fesik, S.W.
Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.
J.Med.Chem., 47:4417-4426, 2004
PubMed: 15317454 (PDB entries with the same primary citation)
DOI: 10.1021/jm040037k
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers4 7.8% 21.8%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
Download full validation reportDownload
PDB entries from 2020-09-23