5NEV

CDK2/Cyclin A in complex with compound 73

Replaces:  5LQE

Summary for 5NEV

DescriptorCyclin-dependent kinase 2, Cyclin-A2, 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, ... (4 entities in total)
Functional Keywordscdk2 cyclin a, cdk2 selective transferase, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome P24941
Nucleus  P20248
Total number of polymer chains4
Total molecular weight129590.05
Authors
Primary citation
Coxon, C.R.,Anscombe, E.,Harnor, S.J.,Martin, M.P.,Carbain, B.,Golding, B.T.,Hardcastle, I.R.,Harlow, L.K.,Korolchuk, S.,Matheson, C.J.,Newell, D.R.,Noble, M.E.,Sivaprakasam, M.,Tudhope, S.J.,Turner, D.M.,Wang, L.Z.,Wedge, S.R.,Wong, C.,Griffin, R.J.,Endicott, J.A.,Cano, C.
Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60:1746-1767, 2017
PubMed: 28005359 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b01254
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.97 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26040.7%5.4%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5nev
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Molmil generated image of 5nev
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Molmil generated image of 5nev
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More Biological unit images

Molmil generated image of 5nev
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Molmil generated image of 5nev
rotated about x axis by 90°
Molmil generated image of 5nev
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 (5nev.pdb1.gz [190.8 KB])
Coordinate files for Biological unit (5nev.pdb2.gz [195.76 KB])