› 8c3d

X-ray diffraction
2Å resolution

Function and Biology Details

Reaction catalysed: 
Broad proteolytic activity. With small-molecule substrates and inhibitors, the major determinant of specificity is P2, which is preferably Leu, Met > Phe, and not Arg.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-273768 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cathepsin K Chain: A
Molecule details ›
Chain: A
Length: 215 amino acids
Theoretical weight: 23.52 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P43235 (Residues: 115-329; Coverage: 69%)
Gene names: CTSK, CTSO, CTSO2
Sequence domains: Papain family cysteine protease
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE Chain: LIG
Molecule details ›
Chain: LIG
Length: 3 amino acids
Theoretical weight: 362 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: C2
Unit cell:
a: 94.63Å b: 41.62Å c: 65.66Å
α: 90° β: 121.01° γ: 90°
R-values:
R R work R free
0.525 0.196 0.227
Expression systems:
  • Komagataella pastoris
  • Not provided

Quick links

Citations

1 mention without citation

Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Reinke et al. (2023)

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