› 1p62

X-ray diffraction
1.9Å resolution

Structure of human dCK complexed with gemcitabine and ADP-MG

Released:
DOI: 10.2210/pdb1p62/pdb
PDB entry 1p62 coloured by chain, front view.
PDB entry 1p62 coloured by chain, side view.
PDB entry 1p62 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structure of human dCK suggests strategies to improve anticancer and antiviral therapy.
Sabini E, Ort S, Monnerjahn C, Konrad M, Lavie A
Nat Struct Biol 10 513-9 (2003)
PMID: 12808445

Function and Biology Details

Reactions catalysed: 
ATP + deoxyguanosine = ADP + dGMP
NTP + deoxycytidine = NDP + dCMP
ATP + deoxyadenosine = ADP + dAMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151058 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deoxycytidine kinase Chain: B
Molecule details ›
Chain: B
Length: 263 amino acids
Theoretical weight: 30.83 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P27707 (Residues: 1-260; Coverage: 100%)
Gene name: DCK
Sequence domains: Deoxynucleoside kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand MG 1 x MG
Ligand ADP 1 x ADP
Ligand GEO 1 x GEO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P43212
Unit cell:
a: 81.2Å b: 81.2Å c: 94.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.179 0.207
Expression system: Escherichia coli BL21(DE3)

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Citations

11 review citations

Enzymology of purine and pyrimidine antimetabolites used in the treatment of cancer.
Parker WB. (2009)
10 more

9 mentions without citation

Variability in docking success rates due to dataset preparation.
Corbeil et al. (2012)
8 more