› 3mwu

X-ray diffraction
1.98Å resolution

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95

Released:
DOI: 10.2210/pdb3mwu/pdb
PDB entry 3mwu coloured by chain, front view.
PDB entry 3mwu coloured by chain, side view.
PDB entry 3mwu coloured by chain, top view.
Source organism: Cryptosporidium parvum Iowa II
Primary publication:
Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
Murphy RC, Ojo KK, Larson ET, Castellanos-Gonzalez A, Perera BG, Keyloun KR, Kim JE, Bhandari JG, Muller NR, Verlinde CL, White AC, Merritt EA, Van Voorhis WC, Maly DJ
ACS Med Chem Lett 1 331-335 (2010)
PMID: 21116453

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-107140 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin-domain protein kinase 1, putative Chain: A
Molecule details ›
Chain: A
Length: 486 amino acids
Theoretical weight: 56.15 KDa
Source organism: Cryptosporidium parvum Iowa II
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A3FQ16 (Residues: 70-538; Coverage: 87%)
Gene name: cgd3_920
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CA 4 x CA
Ligand BK3 1 x BK3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 60.02Å b: 55.97Å c: 82.21Å
α: 90° β: 104.79° γ: 90°
R-values:
R R work R free
0.196 0.194 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

A review of the global burden, novel diagnostics, therapeutics, and vaccine targets for cryptosporidium.
Checkley et al. (2015)
16 more

5 mentions without citation

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