Cathepsin L in complex with (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1- cyanocyclopropyl)-5-oxo-12,17-dioxa-4-AZATRICYCLO[16.2.2.06, 11]DOCOSA-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 22% strand (DSSP).

Ligands and binding sites

• C7T · (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14, 18(22),19-heptaene-3-carboxamide · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 14 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 609 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 6F06 · CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5… · the same entry in another collection · chain A against A, TM-score 1.00
• P07711 · AlphaFold monomer V2.0 prediction for procathepsin L (P07711) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P07711
• Elsewhere: RCSB PDB 6F06 · PDBe 6F06 · UniProt P07711