› 2bju

X-ray diffraction
1.56Å resolution

Plasmepsin II complexed with a highly active achiral inhibitor

Released:
DOI: 10.2210/pdb2bju/pdb
PDB entry 2bju coloured by chain, front view.
PDB entry 2bju coloured by chain, side view.
PDB entry 2bju coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
X-ray structure of plasmepsin II complexed with a potent achiral inhibitor.
Prade L, Jones AF, Boss C, Richard-Bildstein S, Meyer S, Binkert C, Bur D
J Biol Chem 280 23837-43 (2005)
PMID: 15840589

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:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
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: 453 amino acids
Theoretical weight: 51.54 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: P46925 (Residues: 1-453; Coverage: 100%)
Gene name: PMII
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand IH4 2 x IH4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21212
Unit cell:
a: 67.944Å b: 157.142Å c: 38.867Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.229
Expression system: Escherichia coli

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Citations

6 review citations

Molecular recognition in chemical and biological systems.
Persch et al. (2015)
5 more

14 mentions without citation

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