Fig. 9
a Molecular docking simulations obtained at the lowest energy conformation, highlighting potential hydrogen contacts of ASB. For clarity, only interacting residues are labeled. Hydrogen bonding interactions are shown by dashes; b Surface representation of the active-site flap of JBU with ASB shown at the entrance of the binding pocket. (colored by atom: carbon is yellow; oxygen is red; hydrogen is white; sulfur is brown; nitrogen was blue)