› 7ve0

X-ray diffraction
1.9Å resolution

Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum

Released:
DOI: 10.2210/pdb7ve0/pdb
PDB entry 7ve0 coloured by chain, front view.
PDB entry 7ve0 coloured by chain, side view.
PDB entry 7ve0 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Mishra V, Deshmukh A, Rathore I, Chakraborty S, Patankar S, Gustchina A, Wlodawer A, Yada RY, Bhaumik P
OpenAccess logo Curr Res Struct Biol 7 100128 (2024)
PMID: 38304146

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184717 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasmepsin II Chains: A, B
Molecule details ›
Chains: A, B
Length: 331 amino acids
Theoretical weight: 37.11 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8I6V3 (Residues: 123-453; Coverage: 73%)
Gene names: PF3D7_1408000, PMII
Sequence domains: Eukaryotic aspartyl protease

Ligands and Environments

3 bound ligands:
Ligand RIT 2 x RIT
Ligand CPS 15 x CPS
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RRCAT INDUS-2 BEAMLINE PX-BL21
Spacegroup: C2
Unit cell:
a: 150.29Å b: 70.41Å c: 106.67Å
α: 90° β: 133.61° γ: 90°
R-values:
R R work R free
0.224 0.222 0.261
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Mishra et al. (2024)