Figure 10
(a) LIGPLOT diagram (Wallace et al., 1995; Laskowski & Swindells, 2011) graphically showing the interactions between the p-hydroxybenzylidene-imidazolinone (pHDBI) chromophore and the surrounding residues of the green fluorescent protein (hydrogen bonds are depicted through green dotted lines, while hydrophobic contacts are represented by means of red arcs with spokes). (b) Histograms graphically depicting the strengths of the strongly attractive (Iatt) and weak (Iweak) interactions formed by residues of the green fluorescent protein with the pHDBI chromophore in the binding pocket, as resulting from the NCI-QM/ELMO integral analysis with basis set cc-pVDZ. Reprinted with permission from Wieduwilt et al. (2023). Copyright 2023 American Chemical Society. |