PDBe 3n3g

X-ray diffraction
1.6Å resolution

4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important


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

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Cathepsin S Chains: A, B
Molecule details ›
Chains: A, B
Length: 217 amino acids
Theoretical weight: 24.01 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
  • Canonical: P25774 (Residues: 115-331; Coverage: 69%)
Gene name: CTSS
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P4122
Unit cell:
a: 85.757Å b: 85.757Å c: 150.902Å
α: 90° β: 90° γ: 90°
R R work R free
0.225 0.223 0.264
Expression system: Trichoplusia ni