› 4wg5

X-ray diffraction
2.3Å resolution

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647

Released:
DOI: 10.2210/pdb4wg5/pdb
PDB 4wg5 coloured by chain and viewed from the front.
PDB 4wg5 coloured by chain and viewed from the side.
PDB 4wg5 coloured by chain and viewed from the top.
Source organism: Toxoplasma gondii
Entry author: Merritt EA

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin-domain protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 484 amino acids
Theoretical weight: 55.23 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9BJF5 (Residues: 30-507; Coverage: 94%)
Gene name: CDPK1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand UW3 1 x UW3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P21
Unit cell:
a: 48.19Å b: 72.95Å c: 67.88Å
α: 90° β: 102.48° γ: 90°
R-values:
R R work R free
0.222 0.22 0.259
Expression system: Escherichia coli BL21(DE3)

Quick links