PDBe 3iej

X-ray diffraction
2.18Å resolution

Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements

Released:
Source organism: Homo sapiens

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: 222 amino acids
Theoretical weight: 24.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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: APS BEAMLINE 24-ID-C
Spacegroup: C2
Unit cell:
a: 113.264Å b: 37.192Å c: 105.863Å
α: 90° β: 108.59° γ: 90°
R-values:
R R work R free
0.191 0.187 0.263
Expression system: Escherichia coli