› 4ihp

X-ray diffraction
2.27Å resolution

Crystal structure of TgCDPK1 with inhibitor bound

Released:
DOI: 10.2210/pdb4ihp/pdb
PDB entry 4ihp coloured by chain, front view.
PDB entry 4ihp coloured by chain, side view.
PDB entry 4ihp coloured by chain, top view.
Source organism: Toxoplasma gondii
Entry authors: El Bakkouri M, Tempel W, Crandall IE, Massad T, Loppnau P, Graslund S, Bountra C, Arrowsmith CH, Edwards AM, Kain CK, Shokat KM, Sibley LD, Hui R, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
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: 507 amino acids
Theoretical weight: 57.33 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

2 bound ligands:
Ligand 1FB 1 x 1FB
Ligand UNX 2 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 48.309Å b: 73.235Å c: 149.264Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.192 0.25
Expression system: Escherichia coli

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