› 5w8r

X-ray diffraction
2.2Å resolution

Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI

Released:
DOI: 10.2210/pdb5w8r/pdb
PDB entry 5w8r coloured by chain, front view.
PDB entry 5w8r coloured by chain, side view.
PDB entry 5w8r 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, Structural Genomics Consortium (SGC)

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

2 bound ligands:
Ligand 9XV 1 x 9XV
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 48.024Å b: 72.944Å c: 65.546Å
α: 90° β: 99.3° γ: 90°
R-values:
R R work R free
0.203 0.2 0.249
Expression system: Escherichia coli

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