Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib

Summary for 5YU9

DescriptorEpidermal growth factor receptor, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, ... (4 entities in total)
Functional Keywordsegfr, t790m, ibrutinib, inhibitor, oncoprotein
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane; Single-pass type I membrane protein. Isoform 2: Secreted P00533
Total number of polymer chains4
Total molecular weight152470.74
Yan, X.E.,Yun, C.H. (deposition date: 2017-11-21, release date: 2017-12-27)
Primary citation
Wang, A.,Yan, X.E.,Wu, H.,Wang, W.,Hu, C.,Chen, C.,Zhao, Z.,Zhao, P.,Li, X.,Wang, L.,Wang, B.,Ye, Z.,Wang, J.,Wang, C.,Zhang, W.,Gray, N.S.,Weisberg, E.L.,Chen, L.,Liu, J.,Yun, C.H.,Liu, Q.
Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7:69760-69769, 2016
PubMed: 27626175 (PDB entries with the same primary citation)
DOI: 10.18632/oncotarget.11951
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2221706.5%5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report