› 6qm0

X-ray diffraction
1.9Å resolution

Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor

Released:
DOI: 10.2210/pdb6qm0/pdb
PDB entry 6qm0 coloured by chain, front view.
PDB entry 6qm0 coloured by chain, side view.
PDB entry 6qm0 coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Derbyshire DJ

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154996 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin K Chains: A, B
Molecule details ›
Chains: A, B
Length: 216 amino acids
Theoretical weight: 23.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P43235 (Residues: 114-329; Coverage: 69%)
Gene names: CTSK, CTSO, CTSO2
Sequence domains: Papain family cysteine protease

Ligands and Environments

2 bound ligands:
Ligand MHA 1 x MHA
Ligand J6B 2 x J6B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P1
Unit cell:
a: 34.737Å b: 52.285Å c: 57.568Å
α: 74.16° β: 76.27° γ: 84.6°
R-values:
R R work R free
0.133 0.131 0.174
Expression system: Escherichia coli

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