Cathepsin L in complex with (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)- 5-oxo-17-oxa-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

• C7Q · (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl) cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14, 18(22),19-heptaene-3-carboxamide · ligand · 2 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 744 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 6EZX · CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatr… · 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 6EZX · PDBe 6EZX · UniProt P07711