PDBe 3kwn

X-ray diffraction
2.1Å resolution

Cathepsin S in complex with Thioether Acetamide P3 inhibitor

Released:

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-|-Xaa compound. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin S Chains: A, B
Molecule details ›
Chains: A, B
Length: 219 amino acids
Theoretical weight: 24.18 KDa
Source organism: Homo sapiens
Expression system: Baculoviridae
UniProt:
  • Canonical: P25774 (Residues: 115-331; Coverage: 69%)
Gene name: CTSS
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: RIGAKU MICROMAX-007 HF
Spacegroup: P1
Unit cell:
a: 37.02Å b: 52.97Å c: 58.58Å
α: 70.75° β: 71.79° γ: 73.21°
R-values:
R R work R free
0.175 0.171 0.239
Expression system: Baculoviridae