› 3fnt

X-ray diffraction
3.3Å resolution

Crystal structure of pepstatin A bound histo-aspartic protease (HAP) from Plasmodium falciparum

Released:
DOI: 10.2210/pdb3fnt/pdb
PDB entry 3fnt coloured by chain, front view.
PDB entry 3fnt coloured by chain, side view.
PDB entry 3fnt coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures of the histo-aspartic protease (HAP) from Plasmodium falciparum.
Bhaumik P, Xiao H, Parr CL, Kiso Y, Gustchina A, Yada RY, Wlodawer A
J Mol Biol 388 520-40 (2009)
PMID: 19285084

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

Assemblies composition:
hetero tetramer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163558 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Plasmepsin III Chain: A
Molecule details ›
Chain: A
Length: 332 amino acids
Theoretical weight: 37.44 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8IM15 (Residues: 120-451; Coverage: 74%)
Gene names: HAP, PF3D7_1408100, PMIII
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases
Inhibitor, (IVA)VV(STA)A(STA) Chain: I
Molecule details ›
Chain: I
Length: 6 amino acids
Theoretical weight: 686 Da
Source organism: Streptomyces argenteolus subsp. toyonakensis
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3221
Unit cell:
a: 70.7Å b: 70.7Å c: 158.7Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.288 0.285 0.353
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

From crystal to compound: structure-based antimalarial drug discovery.
Drinkwater et al. (2014)
1 more

10 mentions without citation

Malaria parasite plasmepsins: More than just plain old degradative pepsins.
Nasamu et al. (2020)
9 more