› 3bwk

X-ray diffraction
2.42Å resolution

Crystal Structure of Falcipain-3 with Its inhibitor, K11017

Released:
DOI: 10.2210/pdb3bwk/pdb
PDB entry 3bwk coloured by chain, front view.
PDB entry 3bwk coloured by chain, side view.
PDB entry 3bwk coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
Kerr ID, Lee JH, Farady CJ, Marion R, Rickert M, Sajid M, Pandey KC, Caffrey CR, Legac J, Hansell E, McKerrow JH, Craik CS, Rosenthal PJ, Brinen LS
J Biol Chem 284 25697-703 (2009)
PMID: 19620707

Function and Biology Details

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-226977 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Falcipain-3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 243 amino acids
Theoretical weight: 27.38 KDa
Source organism: Plasmodium falciparum
UniProt:
  • Canonical: Q8IIL0 (Residues: 250-492; Coverage: 49%)
Gene names: FP-3, FP3, PF3D7_1115400
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

2 bound ligands:
Ligand C1P 4 x C1P
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P41212
Unit cell:
a: 113.996Å b: 113.996Å c: 226.116Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.209

Quick links

Citations

10 review citations

Pharmacological Inhibitors of the NLRP3 Inflammasome.
Zahid et al. (2019)
9 more

12 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
11 more