› 3bpm

X-ray diffraction
2.5Å resolution

Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin

Released:
DOI: 10.2210/pdb3bpm/pdb
Model geometry
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PDB entry 3bpm coloured by chain, front view.
PDB entry 3bpm coloured by chain, side view.
PDB entry 3bpm coloured by chain, top view.
Source organisms:
Primary publication:
Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity.
Kerr ID, Lee JH, Pandey KC, Harrison A, Sajid M, Rosenthal PJ, Brinen LS
OpenAccess logo J Med Chem 52 852-7 (2009)
PMID: 19128015

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-226797 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Falcipain-3 Chains: A, B
Molecule details ›
Chains: A, B
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
Leupeptin Chains: C, D
Molecule details ›
Chains: C, D
Length: 4 amino acids
Theoretical weight: 430 Da
Source organism: Streptomyces roseus
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: R32
Unit cell:
a: 154.57Å b: 154.57Å c: 129.011Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.19 0.224
Expression system: Not provided

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Citations

9 review citations

New medicines to improve control and contribute to the eradication of malaria.
Wells et al. (2009)
8 more

13 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)
12 more

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