2C6E

Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor

Summary for 2C6E

Related1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6D
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE (3 entities in total)
Functional Keywordstransferase/inhibitor, transferase-inhibitor complex, aurora, kinase, cancer, atp-binding, cell cycle, nucleotide- binding, phosphorylation, serine/threonine-protein kinase, transferase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, centrosome O14965
Total number of polymer chains2
Total molecular weight66604.37
Authors
Pauptit, R.A.,Pannifer, A.D.,Breed, J.,McMiken, H.H.J.,Rowsell, S.,Anderson, M. (deposition date: 2005-11-09, release date: 2006-01-11, Last modification date: 2011-07-13)
Primary citation
Heron, N.M.,Anderson, M.,Blowers, D.P.,Breed, J.,Eden, J.M.,Green, S.,Hill, G.B.,Johnson, T.,Jung, F.H.,Mcmiken, H.H.J.,Mortlock, A.A.,Pannifer, A.D.,Pauptit, R.A.,Pink, J.,Roberts, N.J.,Rowsell, S.
Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16:1320-, 2006
PubMed: 16337122 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2005.11.053
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers132.2%3.8%3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2c6e
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Molmil generated image of 2c6e
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Molmil generated image of 2c6e
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More Biological unit images

Molmil generated image of 2c6e
no rotation
Molmil generated image of 2c6e
rotated about x axis by 90°
Molmil generated image of 2c6e
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (2c6e.pdb2.gz [43.38 KB])
Coordinate files for Biological unit (2c6e.pdb1.gz [45.58 KB])