Cathepsin K complexed with a ketoamide inhibitor

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 24% strand (DSSP).

Ligands and binding sites

• FSP · [1-(4-fluorobenzyl)cyclobutyl]methyl (1S)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 727 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 1TU6 · Cathepsin K complexed with a ketoamide inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
• P43235 · AlphaFold monomer V2.0 prediction for cathepsin K (P43235) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P43235
• Elsewhere: RCSB PDB 1TU6 · PDBe 1TU6 · UniProt P43235