› 6o2x

X-ray diffraction
1.19Å resolution

Structure of cruzain bound to MMTS inhibitor

Released:
DOI: 10.2210/pdb6o2x/pdb
PDB entry 6o2x coloured by chain, front view.
PDB entry 6o2x coloured by chain, side view.
PDB entry 6o2x 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: 22.76 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 6 x EDO
Ligand PO4 1 x PO4
1 modified residue:
Ligand SCH 2 x SCH

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 32.989Å b: 72.369Å c: 79.711Å
α: 90° β: 91.8° γ: 90°
R-values:
R R work R free
0.165 0.164 0.177
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

2 mentions without citation

The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites.
Santos et al. (2021)
1 more