› 3hx4

X-ray diffraction
1.95Å resolution

Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium

Released:
DOI: 10.2210/pdb3hx4/pdb
PDB entry 3hx4 coloured by chain, front view.
PDB entry 3hx4 coloured by chain, side view.
PDB entry 3hx4 coloured by chain, top view.
Source organism: Toxoplasma gondii
Primary publication:
Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Wernimont AK, Artz JD, Finerty P, Lin YH, Amani M, Allali-Hassani A, Senisterra G, Vedadi M, Tempel W, Mackenzie F, Chau I, Lourido S, Sibley LD, Hui R
Nat Struct Mol Biol 17 596-601 (2010)
PMID: 20436473

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: 508 amino acids
Theoretical weight: 57.39 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

4 bound ligands:
Ligand CA 4 x CA
Ligand ANP 1 x ANP
Ligand SO4 5 x SO4
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 49.236Å b: 95.605Å c: 101.612Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.209 0.257
Expression system: Escherichia coli

Quick links

Citations

34 review citations

CDPKs in immune and stress signaling.
Boudsocq et al. (2013)
33 more

11 mentions without citation

Designing selective inhibitors for calcium-dependent protein kinases in apicomplexans.
Hui et al. (2015)
10 more