PDBe 3hd3

X-ray diffraction
1.75Å resolution

High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cruzipain Chains: A, B
Molecule details ›
Chains: A, B
Length: 215 amino acids
Theoretical weight: 22.67 KDa
Source organism: Trypanosoma cruzi
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P25779 (Residues: 123-337; Coverage: 48%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 44.687Å b: 72.493Å c: 60.93Å
α: 90° β: 89.79° γ: 90°
R-values:
R R work R free
0.145 0.143 0.176
Expression system: Komagataella pastoris