1R78

CDK2 complex with a 4-alkynyl oxindole inhibitor

Summary for 1R78

Related1fvt 1p2a
DescriptorCell division protein kinase 2, 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE (3 entities in total)
Functional Keywordscyclin dependent kinase, serine/threonine protein kinase, oxindole, transferase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight34361.88
Authors
Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A. (deposition date: 2003-10-20, release date: 2004-01-20, Last modification date: 2011-07-13)
Primary citation
Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A.
A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14:913-917, 2004
PubMed: 15012993 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2003.12.009
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers60.4%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report