2X81

STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054

Summary for 2X81

Related1MUO 2X6D 2J50 2W1D 1OL6 2BMC 2C6E 2J4Z 1OL5 2C6D 2WTW 2WQE 2W1C 2W1G 2WTV 1OL7 2W1E 2W1F 1MQ4
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID (2 entities in total)
Functional Keywordstransferase, drug-resistance, cell cycle, cytoskeleton
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome  O14965
Total number of polymer chains1
Total molecular weight31917.01
Authors
Savory, W.,Mueller, I.,Mason, C.S.,Lamers, M.,Williams, D.H.,Eyers, P.A. (deposition date: 2010-03-05, release date: 2010-05-05, Last modification date: 2017-06-28)
Primary citation
Sloane, D.,Trikic, M.,Chu, M.L.,Lamers, M.,Mason, C.S.,Mueller, I.,Savory, W.,Williams, D.H.,Eyers, P.A.
Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5:563-, 2010
PubMed: 20426425 (PDB entries with the same primary citation)
DOI: 10.1021/CB100053Q
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.91 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.295502.7%9.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution