PDBe 5w91

X-ray diffraction
2.4Å resolution

Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118

Released:
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

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
UniProt:
  • Canonical: Q9BJF5 (Residues: 30-507; Coverage: 94%)
Gene name: CDPK1
Sequence domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 47.908Å b: 73.23Å c: 65.709Å
α: 90° β: 98.74° γ: 90°
R-values:
R R work R free
0.211 0.209 0.249
Expression system: Escherichia coli