› 3qs1

X-ray diffraction
3.1Å resolution

Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum

Released:
DOI: 10.2210/pdb3qs1/pdb
PDB entry 3qs1 coloured by chain, front view.
PDB entry 3qs1 coloured by chain, side view.
PDB entry 3qs1 coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
Bhaumik P, Horimoto Y, Xiao H, Miura T, Hidaka K, Kiso Y, Wlodawer A, Yada RY, Gustchina A
J Struct Biol 175 73-84 (2011)
PMID: 21521654

Function and Biology Details

Reaction catalysed: 
Hydrolysis of the -Phe(33)-|-Leu- bond in the alpha-chain of hemoglobin, leading to denaturation of the molecule.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153970 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasmepsin I Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 336 amino acids
Theoretical weight: 37.85 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: P39898 (Residues: 117-452; Coverage: 74%)
Gene name: PMI
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand 006 4 x 006
Ligand GOL 10 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P43
Unit cell:
a: 93.69Å b: 93.69Å c: 160.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.211 0.3
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

14 mentions without citation

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