4BCP

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

Summary for 4BCP

Related4BCF 4BCG 4BCH 4BCI 4BCJ 4BCK 4BCM 4BCN 4BCO 4BCQ
DescriptorCYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 2-[[3-(1,4-diazepan-1-yl)phenyl]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, microtubule organizing center, centrosome P24941
Nucleus P20248
Total number of polymer chains4
Total molecular weight129866.31
Authors
Hole, A.J.,Baumli, S.,Wang, S.,Endicott, J.A.,Noble, M.E.M. (deposition date: 2012-10-02, release date: 2013-04-17, Last modification date: 2013-08-07)
Primary citation
Shao, H.,Shi, S.,Huang, S.,Hole, A.,Abbas, A.Y.,Baumli, S.,Liu, X.,Lam, F.,Foley, D.W.,Fischer, P.M.,Noble, M.,Endicott, J.A.,Pepper, C.,Wang, S.
Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56:640-, 2013
PubMed: 23301767 (PDB entries with the same primary citation)
DOI: 10.1021/JM301475F
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.26 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.21470.2%2.2%6.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report