› 1lee

X-ray diffraction
1.9Å resolution

CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367

Released:
DOI: 10.2210/pdb1lee/pdb
PDB entry 1lee coloured by chain, front view.
PDB entry 1lee coloured by chain, side view.
PDB entry 1lee coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Asojo OA, Afonina E, Gulnik SV, Yu B, Erickson JW, Randad R, Medjahed D, Silva AM
Acta Crystallogr D Biol Crystallogr 58 2001-8 (2002)
PMID: 12454457

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 domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-155535 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasmepsin II Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 37.08 KDa
Source organism: Plasmodium falciparum
UniProt:
  • Canonical: P46925 (Residues: 123-453; Coverage: 73%)
Gene name: PMII
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand R36 1 x R36
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X9B
Spacegroup: I222
Unit cell:
a: 75.89Å b: 84.83Å c: 123.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 0.236 0.286

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Citations

7 review citations

Plasmepsins as potential targets for new antimalarial therapy.
Ersmark et al. (2006)
6 more

13 mentions without citation

Structural studies of vacuolar plasmepsins.
Bhaumik et al. (2012)
12 more