› 1f29

X-ray diffraction
2.15Å resolution

CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)

Released:
DOI: 10.2210/pdb1f29/pdb
PDB entry 1f29 coloured by chain, front view.
PDB entry 1f29 coloured by chain, side view.
PDB entry 1f29 coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Brinen LS, Hansell E, Cheng J, Roush WR, McKerrow JH, Fletterick RJ
Structure 8 831-40 (2000)
PMID: 10997902

Function and Biology Details

Reaction catalysed: 
Broad endopeptidase specificity similar to that of cathepsin L.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150579 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cruzipain Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 215 amino acids
Theoretical weight: 22.72 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: P25779 (Residues: 123-337; Coverage: 48%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
Ligand VS1 3 x VS1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 45.23Å b: 155.46Å c: 45.86Å
α: 90° β: 116.22° γ: 90°
R-values:
R R work R free
0.185 0.185 0.208
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Biological roles of proteases in parasitic protozoa.
Klemba et al. (2002)
5 more

5 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)
4 more