Extended Data Fig. 9: Dynamics of the α2-8 linkage of the disialoside in the complex.
From: Sialoglycan binding triggers spike opening in a human coronavirus
Dynamics in the α2-8 linkage are reduced but remain possible when the disialoside is bound to HKU1-A Caen1. a, Trajectory plots of linkage torsions φ, ψ, γ and δ. In comparison to the dynamics of the disaccharide in the free state (Extended Data Fig. 7), there is a clear reduction in the conformational transition frequency for torsions φ and γ. b, Histograms of linkage torsions φ, ψ, γ and δ. In comparison to the profiles of the disaccharide in the free state (red curves) there is a clear reduction in accessible conformational space for torsions γ. Whereas in the free state there are three population maxima, there is now a clear preference for a value around 210°. Data were derived from the same MD simulations shown in Extended Data Fig. 8.
