› 5t6k

X-ray diffraction
2.4Å resolution

Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X

Released:
DOI: 10.2210/pdb5t6k/pdb
PDB entry 5t6k coloured by chain, front view.
PDB entry 5t6k coloured by chain, side view.
PDB entry 5t6k coloured by chain, top view.
Source organism: Toxoplasma gondii
Entry authors: Jiang DQ, Tempel W, Walker JR, El Bakkouri M, Loppnau P, Graslund S, Arrowsmith CH, Edwards AM, Bountra C, Hui R, Lovato DV, Osman KT, 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 BL21(DE3)
UniProt:
  • Canonical: Q9BJF5 (Residues: 1-507; Coverage: 100%)
Gene name: CDPK1
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 5G9 1 x 5G9
Ligand UNX 7 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 47.96Å b: 72.456Å c: 65.671Å
α: 90° β: 98.22° γ: 90°
R-values:
R R work R free
0.208 0.206 0.247
Expression system: Escherichia coli BL21(DE3)

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