Structure-Activity Relationships of 3,3′-Phenylmethylene-bis-4-hydroxycoumarins: Selective and Potent Inhibitors of Gram-Positive Bacteria
Figure 4
Docked orientations and interactions of dicoumarol in the enzyme binding sites. (a) and (b) compare the ligand poses A and poses B, respectively. The surrounding conserved residues, FMN, and dicoumarol molecules are in stick representation. (c) and (d) are schematic 2D diagrams of protein-ligand binding poses A and B, respectively. Spoked arcs represent residues making hydrophobic contacts with the ligand, whereas dashed lines represent hydrogen bonds between the atoms involved. The 2D representation was created using the program LigPlot [27].
