› 4w5b

X-ray diffraction
2.7Å resolution

Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)

Released:
DOI: 10.2210/pdb4w5b/pdb
PDB entry 4w5b coloured by chain, front view.
PDB entry 4w5b coloured by chain, side view.
PDB entry 4w5b 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)
Assembly name:
PDBe Complex ID:
PDB-CPX-150579 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cruzipain Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 215 amino acids
Theoretical weight: 22.7 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

1 bound ligand:
Ligand 3H5 3 x 3H5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P43212
Unit cell:
a: 137.1Å b: 137.1Å c: 109.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.212 0.254
Expression system: Escherichia coli

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