Fig. 2: Dissociation of S1 facilitated by multivalent ACE2 binding.
From: Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core
(Top) Snapshots of one representative S1 dissociation process upon binding of two ACE2 dimers. Each monomer in the ACE2 dimer is represented by red and blue beads, respectively, while each S1 protomer in the spike trimer is represented by cyan, pink, and green beads, respectively. The gray and silver beads denote glycans and S2 protomers, respectively. The depicted process is also shown in Supplementary Movie 1. (Middle) Time series profile depicting tIC1 evaluated for the RBD of each protomer (sharing the same color) for the spike trimer depicted above, i.e., spike trimer protomers are labeled cyan to pink to green (back to cyan) in counter-clockwise order when viewing from the top-down. To the right of the panel, the double-ended arrows represent the extent of the tIC1 distributions for each state from Fig. 1b, while the rectangle shows the peak of each distribution. (Bottom) Time series profile depicting k-means cluster IDs for the RBD of each protomer (same color scheme as the middle panel). To the right of the panel, the structural class assigned to each cluster ID is annotated. Each time series profile depicts the mean (line) and standard deviation (shaded region) of N = 25000 points using block averaging over 500 points.
