› 3g15

X-ray diffraction
1.7Å resolution

Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP

Released:
DOI: 10.2210/pdb3g15/pdb
PDB entry 3g15 coloured by chain, front view.
PDB entry 3g15 coloured by chain, side view.
PDB entry 3g15 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
Hong BS, Allali-Hassani A, Tempel W, Finerty PJ, Mackenzie F, Dimov S, Vedadi M, Park HW
J Biol Chem 285 16330-40 (2010)
PMID: 20299452

Function and Biology Details

Reactions catalysed: 
ATP + choline = ADP + phosphocholine
ATP + ethanolamine = ADP + O-phosphoethanolamine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153023 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Choline kinase alpha Chains: A, B
Molecule details ›
Chains: A, B
Length: 401 amino acids
Theoretical weight: 46.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35790 (Residues: 75-457; Coverage: 84%)
Gene names: CHK, CHKA, CKI
Sequence domains: Choline/ethanolamine kinase
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand ADP 2 x ADP
Ligand MG 4 x MG
Ligand HC6 2 x HC6
Ligand SO4 2 x SO4
Ligand UNX 21 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 55.802Å b: 118.986Å c: 131.039Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.22 0.257
Expression system: Escherichia coli

Quick links

Citations

7 review citations

p53 and metabolism: from mechanism to therapeutics.
Simabuco et al. (2018)
6 more

6 mentions without citation

Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
Hong et al. (2010)
5 more