› 4w5c

X-ray diffraction
3.27Å resolution

Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide).

Released:
DOI: 10.2210/pdb4w5c/pdb
PDB entry 4w5c coloured by chain, front view.
PDB entry 4w5c coloured by chain, side view.
PDB entry 4w5c coloured by chain, top view.
Source organism: Trypanosoma cruzi
Entry authors: Tochowicz A, McKerrow JH, Craik CS

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cruzipain Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 216 amino acids
Theoretical weight: 22.76 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: P25779 (Residues: 122-337; Coverage: 48%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

3 bound ligands:
Ligand 3H5 2 x 3H5
Ligand 3H6 1 x 3H6
Ligand 3H7 3 x 3H7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P43212
Unit cell:
a: 137.79Å b: 137.79Å c: 166.48Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.236
Expression system: Escherichia coli

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