TTK kinase domain in complex with Mps-BAY2b

Summary for 5N84

DescriptorDual specificity protein kinase TTK, ~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide, SODIUM ION, ... (5 entities in total)
Functional Keywordskinase, inhibitor, mitosis, mps1, joost uitdehaag and nicole seegers 13021, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight36715.83
Uitdehaag, J.,Willemsen-Seegers, N.,de Man, J.,Buijsman, R.C.,Zaman, G.J.R. (deposition date: 2017-02-22, 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 outliers0.258807.6%5.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution