› 5jms

X-ray diffraction
2.3Å resolution

Crystal structure of TgCDPK1 bound to CGP060476

Released:
DOI: 10.2210/pdb5jms/pdb
PDB entry 5jms coloured by chain, front view.
PDB entry 5jms coloured by chain, side view.
PDB entry 5jms coloured by chain, top view.
Source organism: Toxoplasma gondii
Entry authors: El Bakkouri M, Walker JR, Loppnau P, Graslund S, Bountra C, Arrowsmith CH, Edwards AM, Hui R, Lovato DV, 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: 525 amino acids
Theoretical weight: 59.53 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BJF5 (Residues: 1-507; Coverage: 100%)
Gene name: CDPK1
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 6LP 1 x 6LP
Ligand CA 1 x CA
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P21
Unit cell:
a: 48.169Å b: 72.75Å c: 65.276Å
α: 90° β: 98.62° γ: 90°
R-values:
R R work R free
0.226 0.224 0.264
Expression system: Escherichia coli

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