› 6n3s

X-ray diffraction
1.19Å resolution

Crystal structure of apo-cruzain

Released:
DOI: 10.2210/pdb6n3s/pdb
PDB entry 6n3s coloured by chain, front view.
PDB entry 6n3s coloured by chain, side view.
PDB entry 6n3s coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Barbosa da Silva E, Dall E, Briza P, Brandstetter H, Ferreira RS
Acta Crystallogr F Struct Biol Commun 75 419-427 (2019)
PMID: 31204688

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 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
Molecule details ›
Chains: A, B
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

2 bound ligands:
Ligand EDO 5 x EDO
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 32.83Å b: 72.21Å c: 79.82Å
α: 90° β: 91.53° γ: 90°
R-values:
R R work R free
0.139 0.138 0.165
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Technologies for Direct Detection of Covalent Protein-Drug Adducts.
Mons et al. (2023)
1 other article

1 mention without citation

Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Barbosa da Silva et al. (2019)