5NAD

TTK kinase domain in complex with BAY 1217389

Summary for 5NAD

Related5N7V
DescriptorDual specificity protein kinase TTK, BAY 1217389 (3 entities in total)
Functional Keywordskinase, inhibitor, mitosis, mps1, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight36772.78
Authors
Uitdehaag, J.C.M.,Willemsen-Seegers, N.,Sterrenburg, J.G.,de Man, J.,Buijsman, R.C.,Zaman, G.J.R. (deposition date: 2017-02-27, release date: 2017-05-31, Last modification date: 2017-08-23)
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
X-RAY DIFFRACTION (2.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2831304.6%3.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution