› 4nj3

X-ray diffraction
1.85Å resolution

Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor

Released:
DOI: 10.2210/pdb4nj3/pdb
PDB entry 4nj3 coloured by chain, front view.
PDB entry 4nj3 coloured by chain, side view.
PDB entry 4nj3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Deng Y, Shipps GW, Zhao L, Siddiqui MA, Popovici-Muller J, Curran PJ, Duca JS, Hruza AW, Fischmann TO, Madison VS, Zhang R, McNemar CW, Mayhood TW, Syto R, Annis A, Kirschmeier P, Lees EM, Parry DA, Windsor WT
Bioorg Med Chem Lett 24 199-203 (2014)
PMID: 24332088

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-150313 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 299 amino acids
Theoretical weight: 34.03 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P24941 (Residues: 1-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 2KD 1 x 2KD
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 53.83Å b: 72.37Å c: 72.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.231
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Drug discovery from natural products using affinity selection-mass spectrometry.
Muchiri et al. (2021)
5 other articles

5 mentions without citation

Structure-based discovery of cyclin-dependent protein kinase inhibitors.
Martin et al. (2017)
4 more