Cathepsin L in complex with 4-[CYCLOPENTYL(IMIDAZO[1,2-A]PYRIDIN-2- YLMETHYL)AMINO]-6-morpholino-1,3,5-triazine-2-carbonitrile

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 22% strand (DSSP).

Ligands and binding sites

• 7KH · ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine · ligand · chains A
• EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 5MAJ · CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morph… · 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 A 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 5MAJ · PDBe 5MAJ · UniProt P07711