Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680

Summary for 2F4J

DescriptorProto-oncogene tyrosine-protein kinase ABL1, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE (3 entities in total)
Functional Keywordskinase, kinase inhibitor, abl, transferase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight33636.52
Young, M.A.,Shah, N.P.,Chao, L.H.,Zarrinkar, P.,Sawyers, P.,Kuriyan, J. (deposition date: 2005-11-23, release date: 2006-01-24, Last modification date: 2017-10-18)
Primary citation
Young, M.A.,Shah, N.P.,Chao, L.H.,Seeliger, M.,Milanov, Z.V.,Biggs, W.H.,Treiber, D.K.,Patel, H.K.,Zarrinkar, P.P.,Lockhart, D.J.,Sawyers, C.L.,Kuriyan, J.
Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680.
Cancer Res., 66:1007-1014, 2006
PubMed: 16424036 (PDB entries with the same primary citation)
DOI: 10.1158/0008-5472.CAN-05-2788
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.235101.8%2.4%3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution