X-ray diffraction
2.5Å resolution

Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)


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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
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
  • Canonical: P35790 (Residues: 75-457; Coverage: 84%)
Gene names: CHK, CHKA, CKI
Sequence domains: Choline/ethanolamine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU ULTRAX 18
Spacegroup: P212121
Unit cell:
a: 55.523Å b: 121.532Å c: 130.467Å
α: 90° β: 90° γ: 90°
R R work R free
0.223 0.223 0.277
Expression system: Escherichia coli