› 3i7c

X-ray diffraction
1.98Å resolution

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2

Released:
DOI: 10.2210/pdb3i7c/pdb
PDB 3i7c coloured by chain and viewed from the front.
PDB 3i7c coloured by chain and viewed from the side.
PDB 3i7c coloured by chain and viewed from the top.
Source organism: Toxoplasma gondii
Primary publication:
Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Ojo KK, Larson ET, Keyloun KR, Castaneda LJ, Derocher AE, Inampudi KK, Kim JE, Arakaki TL, Murphy RC, Zhang L, Napuli AJ, Maly DJ, Verlinde CL, Buckner FS, Parsons M, Hol WG, Merritt EA, Van Voorhis WC
Nat. Struct. Mol. Biol. 17 602-7 (2010)
PMID: 20436472

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

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: 55.98 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9BJF5 (Residues: 30-507; Coverage: 94%)
Gene name: CDPK1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand BK2 1 x BK2
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 48.139Å b: 72.522Å c: 67.116Å
α: 90° β: 103.76° γ: 90°
R-values:
R R work R free
0.195 0.193 0.245
Expression system: Escherichia coli BL21(DE3)

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Citations

20 review citations

Calcium signaling and the lytic cycle of the Apicomplexan parasite Toxoplasma gondii.
Hortua Triana et al. (2018)
19 more

7 mentions without citation

The calcium-dependent protein kinase 1 from Toxoplasma gondii as target for structure-based drug design.
Cardew et al. (2018)
6 more