Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor

Summary for 2I40

DescriptorCell division protein kinase 2, Cyclin-A2, 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, ... (4 entities in total)
Functional Keywordscdk2, cyclin, kinase, transferase-cell cycle complex, transferase/cell cycle
Biological sourceHomo sapiens (human)
Cellular locationNucleus P20248
Total number of polymer chains4
Total molecular weight128603.86
Shewchuk, L.M. (deposition date: 2006-08-21, release date: 2006-10-10, Last modification date: 2011-07-13)
Primary citation
Bamborough, P.,Christopher, J.A.,Cutler, G.J.,Dickson, M.C.,Mellor, G.W.,Morey, J.V.,Patel, C.B.,Shewchuk, L.M.
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16:6236-6240, 2006
PubMed: 16997559 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2006.09.018
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.20840.1%0.2%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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