› 3lq3

X-ray diffraction
1.42Å resolution

Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide

Released:
DOI: 10.2210/pdb3lq3/pdb
PDB entry 3lq3 coloured by chain, front view.
PDB entry 3lq3 coloured by chain, side view.
PDB entry 3lq3 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:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195103 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Choline/ethanolamine kinase Chain: A
Molecule details ›
Chain: A
Length: 401 amino acids
Theoretical weight: 46.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y259 (Residues: 14-395; Coverage: 97%)
Gene names: CHETK, CHKB, CHKL
Sequence domains: Choline/ethanolamine kinase
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand HC7 1 x HC7
Ligand MG 1 x MG
Ligand UNX 2 x UNX
Ligand SO4 1 x SO4
Ligand ADP 1 x ADP
Ligand AMP 1 x AMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 98.175Å b: 73.206Å c: 62.426Å
α: 90° β: 117.97° γ: 90°
R-values:
R R work R free
0.188 0.187 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

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

2 mentions without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)
1 more