Figure 5.

Number of direct hydrogen bonds as a function of time between amino acid residues of mAChE and Ortho-7 during the process of leaving the active-site gorge. The amino acid residues and atom numbers of the drug molecule with which it forms hydrogen bonds are mentioned. The grey-colored bars are indicative of the simultaneous formation of water bridges between the protein and the drug with an intervening molecule of water in addition to a direct hydrogen bond, which is otherwise plotted here. Note that Ser 203 is found to form only water bridges and no direct hydrogen bond.