Fig. 4. Alteration of intra- and inter-monomeric interactions accompanied by GSH binding.

Superimposed apo (gray translucent ball and stick) and holo-MGST2 (opaque ball and stick) structures displaying the reshaping of Asn55-Arg90 intra-monomeric interaction: a active site with GSH at full occupancy, b active site with GSH at partial occupancy, and c active site without GSH. GSH molecules are shown in stick representation. d Asymmetric inter-monomeric interaction between αH2 (cartoon): Glu58 switches its interaction from Glu53 to Gln54 at the GSH unoccupied and fully occupied sites, whereas Glu58 remains interacting with Gln53 at the partially occupied site as observed in the apo structure. Apo residues and interactions are shown in gray translucent ball and stick and orange dashed lines, respectively.