› 3nup

X-ray diffraction
2.6Å resolution

CDK6 (monomeric) in complex with inhibitor

Released:
DOI: 10.2210/pdb3nup/pdb
PDB entry 3nup coloured by chain, front view.
PDB entry 3nup coloured by chain, side view.
PDB entry 3nup coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
Cho YS, Borland M, Brain C, Chen CH, Cheng H, Chopra R, Chung K, Groarke J, He G, Hou Y, Kim S, Kovats S, Lu Y, O'Reilly M, Shen J, Smith T, Trakshel G, Vögtle M, Xu M, Xu M, Sung MJ
J Med Chem 53 7938-57 (2010)
PMID: 21038853

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169439 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 6 Chain: A
Molecule details ›
Chain: A
Length: 307 amino acids
Theoretical weight: 35.02 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q00534 (Residues: 1-301; Coverage: 92%)
Gene names: CDK6, CDKN6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3NU 1 x 3NU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: I4
Unit cell:
a: 101.778Å b: 101.778Å c: 59.296Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.238 0.264
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Selective inhibition of CDK4/6: A safe and effective strategy for developing anticancer drugs.
Yuan et al. (2021)
3 more

11 mentions without citation

Targeting CDK6 in cancer: State of the art and new insights.
Tadesse et al. (2015)
10 more