5HG8

EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide

Summary for 5HG8

Related5HG7 5HG5 5HG9
DescriptorEpidermal growth factor receptor, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, SULFATE ION, ... (5 entities in total)
Functional Keywordsegfr, kinase, inhibitor, lung cancer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane; Single-pass type I membrane protein. Isoform 2: Secreted P00533
Total number of polymer chains1
Total molecular weight38242.07
Authors
Gajiwala, K.S. (deposition date: 2016-01-08, release date: 2016-02-03, Last modification date: 2017-11-22)
Primary citation
Cheng, H.,Nair, S.K.,Murray, B.W.,Almaden, C.,Bailey, S.,Baxi, S.,Behenna, D.,Cho-Schultz, S.,Dalvie, D.,Dinh, D.M.,Edwards, M.P.,Feng, J.L.,Ferre, R.A.,Gajiwala, K.S.,Hemkens, M.D.,Jackson-Fisher, A.,Jalaie, M.,Johnson, T.O.,Kania, R.S.,Kephart, S.,Lafontaine, J.,Lunney, B.,Liu, K.K.,Liu, Z.,Matthews, J.,Nagata, A.,Niessen, S.,Ornelas, M.A.,Orr, S.T.,Pairish, M.,Planken, S.,Ren, S.,Richter, D.,Ryan, K.,Sach, N.,Shen, H.,Smeal, T.,Solowiej, J.,Sutton, S.,Tran, K.,Tseng, E.,Vernier, W.,Walls, M.,Wang, S.,Weinrich, S.L.,Xin, S.,Xu, H.,Yin, M.J.,Zientek, M.,Zhou, R.,Kath, J.C.
Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59:2005-2024, 2016
PubMed: 26756222 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b01633
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.42 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2075005.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5hg8
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Molmil generated image of 5hg8
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Molmil generated image of 5hg8
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