4ZS0

Human Aurora A catalytic domain bound to SB-6-OH

Summary for 4ZS0

DescriptorAurora kinase A, 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one (2 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 weight33215.04
Authors
Marcaida, M.J.,Kilchmann, F.,Schick, T.,Reymond, J.L. (deposition date: 2015-05-12, 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
X-RAY DIFFRACTION (3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25880.4%3.2%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4zs0
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Molmil generated image of 4zs0
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Molmil generated image of 4zs0
rotated about y axis by 90°