› 6kuc

X-ray diffraction
2.5Å resolution

Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2)

Released:
DOI: 10.2210/pdb6kuc/pdb
PDB entry 6kuc coloured by chain, front view.
PDB entry 6kuc coloured by chain, side view.
PDB entry 6kuc coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Rathore I, Mishra V, Patel C, Xiao H, Gustchina A, Wlodawer A, Yada RY, Bhaumik P
FEBS J 288 678-698 (2021)
PMID: 32385863

Function and Biology Details

Reaction catalysed: 
Hydrolysis of the bonds linking certain hydrophobic residues in hemoglobin or globin. Also cleaves small molecules substrates such as Ala-Leu-Glu-Arg-Thr-Phe-|-Phe(NO(2))-Ser-Phe-Pro-Thr.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195067 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasmepsin III Chain: A
Molecule details ›
Chain: A
Length: 380 amino acids
Theoretical weight: 43.05 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q9Y006 (Residues: 77-451; Coverage: 83%)
Gene names: HAP, PFHG_00466, PMIII
Sequence domains: Eukaryotic aspartyl protease

Ligands and Environments

2 bound ligands:
Ligand PEG 4 x PEG
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 122.7Å b: 70Å c: 73Å
α: 90° β: 126.1° γ: 90°
R-values:
R R work R free
0.195 0.192 0.248
Expression system: Escherichia coli K-12

Quick links

Citations

1 review citation

Antimalarial drug discovery: progress and approaches.
Siqueira-Neto et al. (2023)
1 other article

1 mention without citation

Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Rathore et al. (2021)