› 5w6o

X-ray diffraction
2.35Å resolution

Choline Kinase Alpha in Complex with TCD-717

Released:
DOI: 10.2210/pdb5w6o/pdb
PDB entry 5w6o coloured by chain, front view.
PDB entry 5w6o coloured by chain, side view.
PDB entry 5w6o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a Unique Inhibitor-Binding Site on Choline Kinase α.
Kall SL, Delikatny EJ, Lavie A
Biochemistry 57 1316-1325 (2018)
PMID: 29389115

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 domain:

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: 378 amino acids
Theoretical weight: 44.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35790 (Residues: 80-457; Coverage: 83%)
Gene names: CHK, CHKA, CKI
Sequence domains: Choline/ethanolamine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 9X1 2 x 9X1
Ligand MES 2 x MES
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 55.95Å b: 122.35Å c: 131.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.207 0.268
Expression system: Escherichia coli

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Citations

4 review citations

Causes, consequences, and therapy of tumors acidosis.
Pillai et al. (2019)
3 more

2 mentions without citation

New Druggable Targets for Rheumatoid Arthritis Based on Insights From Synovial Biology.
Sandhu et al. (2022)
1 more