Research / 2021 / Article / Fig 4

Research Article

Highly Dynamic Polynuclear Metal Cluster Revealed in a Single Metallothionein Molecule

Figure 4

Mechanical unfolding profiles for αMT obtained from molecular simulations. Upper panels show the total potential energy, and lower panels show the distance of broken metal-thiolate bonds (M-S, as colored in the legend) upon increasing the protein N- and C-terminal distance. (a) to (c) were obtained for Zn-αMT with starting geometries, respectively, taken from 1 ns, 3 ns, and 5 ns snapshots of the initial classical molecular dynamic simulations, and (d) was obtained for Cd-αMT from the 5 ns snapshot (the same as in (c)). Raw data for this figure is provided as a source data file.