PDBe 2op3

X-ray diffraction
1.6Å resolution

The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method


Function and Biology Details

Reaction catalysed:
Similar to cathepsin L, but with much less activity on Z-Phe-Arg-|-NHMec, and more activity on the Z-Val-Val-Arg-|- compound.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
homo dimer
Entry contents:
1 distinct polypeptide molecule
Cathepsin S Chains: A, B
Molecule details ›
Chains: A, B
Length: 220 amino acids
Theoretical weight: 24.39 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
  • Canonical: P25774 (Residues: 112-331; Coverage: 70%)
Gene name: CTSS
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P4122
Unit cell:
a: 85.384Å b: 85.384Å c: 151.2Å
α: 90° β: 90° γ: 90°
R R work R free
0.159 0.158 0.181
Expression system: Spodoptera frugiperda