HCV NS3/4A protease domain of genotype 1A3A chimera in complex with glecaprevir

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 44% strand (DSSP).

Ligands and binding sites

• O31 · (3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3A,5,6,7,8,11,12,20,23,24A-dodecahydro-1H, 10H-9,12-methanocyclopenta[18,19][1,10,17,3, 6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Compared structures

• 6P6R · HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir · the same entry in another collection · 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 P26664
• Elsewhere: RCSB PDB 6P6R · PDBe 6P6R · UniProt P26664