› 1h0w

X-ray diffraction
2.1Å resolution

Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine

Released:
DOI: 10.2210/pdb1h0w/pdb
PDB 1h0w coloured by chain and viewed from the front.
PDB 1h0w coloured by chain and viewed from the side.
PDB 1h0w coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.
Gibson AE, Arris CE, Bentley J, Boyle FT, Curtin NJ, Davies TG, Endicott JA, Golding BT, Grant S, Griffin RJ, Jewsbury P, Johnson LN, Mesguiche V, Newell DR, Noble ME, Tucker JA, Whitfield HJ
J. Med. Chem. 45 3381-93 (2002)
PMID: 12139449

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 33.98 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 207 1 x 207
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P212121
Unit cell:
a: 53.422Å b: 72.264Å c: 72.375Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.21 0.287
Expression system: Spodoptera frugiperda

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Citations

5 review citations

Current status of PTMs structural databases: applications, limitations and prospects.
de Brevern et al. (2022)
4 more

3 mentions without citation

Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation.
Jain AN. (2009)
2 more