TTK kinase domain in complex with MPI-0479605

Summary for 5N7V

DescriptorDual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... (4 entities in total)
Functional Keywordskinase, inhibitor, mitosis, mps1, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight37239.56
Uitdehaag, J.,Willemsen-Seegers, N.,Zaman, G.J.R. (deposition date: 2017-02-21, release date: 2017-05-31, Last modification date: 2017-07-05)
Primary citation
Uitdehaag, J.C.M.,de Man, J.,Willemsen-Seegers, N.,Prinsen, M.B.W.,Libouban, M.A.A.,Sterrenburg, J.G.,de Wit, J.J.P.,de Vetter, J.R.F.,de Roos, J.A.D.M.,Buijsman, R.C.,Zaman, G.J.R.
Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429:2211-2230, 2017
PubMed: 28539250 (PDB entries with the same primary citation)
DOI: 10.1016/j.jmb.2017.05.014
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.291110.8%3.3%12.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution