› 1snk

X-ray diffraction
2.4Å resolution

Cathepsin K complexed with carbamate derivatized norleucine aldehyde

Released:
DOI: 10.2210/pdb1snk/pdb
PDB entry 1snk coloured by chain, front view.
PDB entry 1snk coloured by chain, side view.
PDB entry 1snk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploration of the P2-P3 SAR of aldehyde cathepsin K inhibitors.
Boros EE, Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Paulick MG, Shewchuk LM, Thompson JB, Willard DH, Wright LL
Bioorg Med Chem Lett 14 3425-9 (2004)
PMID: 15177446

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
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154996 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin K Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 23.45 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P43235 (Residues: 116-329; Coverage: 68%)
Gene names: CTSK, CTSO, CTSO2
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand MYE 1 x MYE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P43212
Unit cell:
a: 62.073Å b: 62.073Å c: 113.378Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.208 0.286
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Biochemical properties and regulation of cathepsin K activity.
Lecaille et al. (2008)
2 more