› 8d1p

X-ray diffraction
1.88Å resolution

Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine

Released:
DOI: 10.2210/pdb8d1p/pdb
PDB entry 8d1p coloured by chain, front view.
PDB entry 8d1p coloured by chain, side view.
PDB entry 8d1p coloured by chain, top view.
Source organism: Plasmodium falciparum Palo Alto/Uganda
Primary publication:
A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Mrozek A, Antoshchenko T, Chen Y, Zepeda-Velázquez C, Smil D, Kumar N, Lu H, Park HW
OpenAccess logo Front Mol Biosci 9 956095 (2022)
PMID: 36275624

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-275583 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chaperone DnaK Chain: A
Molecule details ›
Chain: A
Length: 397 amino acids
Theoretical weight: 44.36 KDa
Source organism: Plasmodium falciparum Palo Alto/Uganda
Expression system: Escherichia coli
UniProt:
  • Canonical: W4J0F1 (Residues: 26-404; Coverage: 60%)
Gene name: PFUGPA_02944
Sequence domains: Hsp70 protein

Ligands and Environments

2 bound ligands:
Ligand H5V 2 x H5V
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P6522
Unit cell:
a: 84.265Å b: 84.265Å c: 291.778Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.189 0.187 0.216
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

In silico identification of modulators of J domain protein-Hsp70 interactions in Plasmodium falciparum: a drug repurposing strategy against malaria.
Singh et al. (2023)