Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein
Fig 5
Dynamics of the glycan at N343.
(A) In the case of dissociation along Path A, the N343 glycan extends into the solvent, moving away from the α1 and α3 helices. This allows LA to traverse through the open gate created by the α1 and α3 helices. (B) Conversely, during dissociation along Path B, the N343 glycan moves towards the α1 and α3 helices, restricting LA from progressing through Path A. Measurement of the dihedral angle of residue N343 is shown for Path A (C) and Path B (D), spanning the simulation duration.