› 5jh3

X-ray diffraction
1.75Å resolution

Human cathepsin K mutant C25S

Released:
DOI: 10.2210/pdb5jh3/pdb
PDB entry 5jh3 coloured by chain, front view.
PDB entry 5jh3 coloured by chain, side view.
PDB entry 5jh3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An allosteric site enables fine-tuning of cathepsin K by diverse effectors.
Novinec M, Rebernik M, Lenarčič B
FEBS Lett 590 4507-4518 (2016)
PMID: 27859061

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 Chain: A
Molecule details ›
Chain: A
Length: 223 amino acids
Theoretical weight: 24.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P43235 (Residues: 107-329; Coverage: 71%)
Gene names: CTSK, CTSO, CTSO2
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P43212
Unit cell:
a: 56.85Å b: 56.85Å c: 130.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.187 0.211
Expression system: Escherichia coli

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Citations

1 review citation

Recent applications of computational methods to allosteric drug discovery.
Govindaraj et al. (2022)
7 other articles