Figure 2.

Novel in‐frame deletion affects ligand binding to GLB1. a) The structure of GLB1 is shown with Asn490, Tyr485, and ligand shown in detail. The residues connecting Tyr485 to Asn490 are highlighted and b) shown zoomed in. c) After simulation, WT maintains the same interaction between ligand and Tyr485, while d) Asn490del showed altered interaction. e) In unconstrained simulations, we monitored the correlation between each residue's motions and show these pairwise correlations as a matrix. Certain regions of the structure tend to move in a coordinated way, corresponding to interdomain motions. f) Asn490del shows the same type of motion, but with less coordination. g) The same correlation data are shown as a density plot to emphasize the loss of strong correlations