4BCN

Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor

Summary for 4BCN

Related4BCF 4BCG 4BCH 4BCI 4BCJ 4BCK 4BCM 4BCO 4BCP 4BCQ
DescriptorCYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, ... (6 entities in total)
Functional Keywordstransferase-cell cycle complex, cdk-cyclin complex, cyclin-inhibitor, structure-based drug design, transferase/cell cycle
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, centrosome P24941
Nucleus P20248 P20248
Total number of polymer chains4
Total molecular weight129384.56
Authors
Hole, A.J.,Baumli, S.,Wang, S.,Endicott, J.A.,Noble, M.E.M. (deposition date: 2012-10-02, release date: 2013-03-06)
Primary citation
Hole, A.J.,Baumli, S.,Shao, H.,Shi, S.,Pepper, C.,Fischer, P.M.,Wang, S.,Endicott, J.A.,Noble, M.E.M.
Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56:660-, 2013
PubMed: 23252711 (PDB entries with the same primary citation)
DOI: 10.1021/JM301495V
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.21570.4%0.9%8.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report