› 6ssz

X-ray diffraction
3.45Å resolution

Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor.

Released:
DOI: 10.2210/pdb6ssz/pdb
PDB entry 6ssz coloured by chain, front view.
PDB entry 6ssz coloured by chain, side view.
PDB entry 6ssz coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site.
Machin JM, Kantsadi AL, Vakonakis I
Malar J 18 388 (2019)
PMID: 31791339

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184714 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Falcipain-2a Chains: A, B
Molecule details ›
Chains: A, B
Length: 242 amino acids
Theoretical weight: 27.18 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8I6U4 (Residues: 244-483; Coverage: 50%)
Gene names: FP-2, FP2, FP2A, PF3D7_1115700
Sequence domains: Papain family cysteine protease

Ligands and Environments

1 bound ligand:
Ligand JV1 2 x JV1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P3221
Unit cell:
a: 109.431Å b: 109.431Å c: 107.254Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.258 0.255 0.308
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Targeting the Plasmodium falciparum proteome and organelles for potential antimalarial drug candidates.
Abugri et al. (2022)
4 other articles

2 mentions without citation

The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site.
Machin et al. (2019)
1 more