4klb

X-ray diffraction
2.62Å resolution

Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cruzipain Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 215 amino acids
Theoretical weight: 22.72 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25779 (Residues: 123-337; Coverage: 48%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P43212
Unit cell:
a: 138.72Å b: 138.72Å c: 163.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.239
Expression system: Escherichia coli BL21(DE3)