› 5w9e

X-ray diffraction
2.44Å resolution

Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186

Released:
DOI: 10.2210/pdb5w9e/pdb
PDB entry 5w9e coloured by chain, front view.
PDB entry 5w9e coloured by chain, side view.
PDB entry 5w9e coloured by chain, top view.
Source organism: Toxoplasma gondii
Entry authors: El Bakkouri M, Lovato D, Loppnau P, Lin YH, Rutaganaria F, Lopez MS, Shokat L, Bountra C, Edwards AM, Arrowsmith CH, Sibley D, Hui R, Walker JR

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189639 (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
UniProt:
  • Canonical: Q9BJF5 (Residues: 30-507; Coverage: 94%)
Gene name: CDPK1
Sequence domains:
Structure domains: Phosphorylase Kinase; domain 1

Ligands and Environments

1 bound ligand:
Ligand 9YJ 1 x 9YJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 47.997Å b: 72.802Å c: 64.595Å
α: 90° β: 98.57° γ: 90°
R-values:
R R work R free
0.213 0.211 0.249
Expression system: Escherichia coli

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