Human Aurora A catalytic domain bound to FK1142

Summary for 4ZTS

DescriptorAurora kinase A, (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, ... (4 entities in total)
Functional Keywordsaurora, kinase, inhibitor, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome  O14965
Total number of polymer chains1
Total molecular weight33549.52
Marcaida, M.J.,Kilchmann, F.,Schick, T.,Reymond, J.L. (deposition date: 2015-05-15, release date: 2016-07-20, Last modification date: 2017-09-13)
Primary citation
Kilchmann, F.,Marcaida, M.J.,Kotak, S.,Schick, T.,Boss, S.D.,Awale, M.,Gonczy, P.,Reymond, J.L.
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59:7188-7211, 2016
PubMed: 27391133 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00709
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.252101.9%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution