Crystal structure of the ALK kinase domain in complex with Entrectinib

Summary for 5FTO

DescriptorALK TYROSINE KINASE RECEPTOR, Entrectinib (3 entities in total)
Functional Keywordstransferase, kinase inhibitors, cancer, drug discovery, alk, trk, ros1, anaplastic large cell lymphoma (alcl), non small cell large cancer (nsclc), neuroblastoma, colorectal cancer (crc)
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCell membrane ; Single-pass type I membrane protein  Q9UM73
Total number of polymer chains1
Total molecular weight35895.25
Primary citation
Menichincheri, M.,Ardini, E.,Magnaghi, P.,Avanzi, N.,Banfi, P.,Bossi, R.T.,Buffa, L.,Canevari, G.,Ceriani, L.,Colombo, M.,Corti, L.,Donati, D.,Fasolini, M.,Felder, E.R.,Fiorelli, C.,Fiorentini, F.,Galvani, A.,Isacchi, A.,Borgia, A.L.,Marchionni, C.,Nesi, M.,Orrenius, C.,Panzeri, A.,Pesenti, E.,Rusconi, L.,Saccardo, B.M.,Vanotti, E.,Perrone, E.,Orsini, P.
Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59:3392-, 2016
PubMed: 27003761 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.6B00064
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.254803.9%3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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