4AF3

Human Aurora B Kinase in complex with INCENP and VX-680

Summary for 4AF3

DescriptorAURORA KINASE B, INNER CENTROMERE PROTEIN, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ... (4 entities in total)
Functional Keywordstransferase-inhibitor complex, aurkb, transferase/inhibitor
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus Q96GD4 Q9NQS7
Total number of polymer chains2
Total molecular weight42400.17
Authors
Elkins, J.M.,Vollmar, M.,Wang, J.,Picaud, S.,Arrowsmith, C.H.,Edwards, A.,Bountra, C.,von Delft, F.,Knapp, S. (deposition date: 2012-01-16, release date: 2012-04-11, Last modification date: 2018-01-24)
Primary citation
Elkins, J.M.,Santaguida, S.,Musacchio, A.,Knapp, S.
Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55:7841-, 2012
PubMed: 22920039 (PDB entries with the same primary citation)
DOI: 10.1021/JM3008954
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.75 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.27260.7%0.4%3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
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PDB entries from 2020-08-05