Figure 3
Ligands and key residues in the orthosteric site of AcAChBP. The positions of O atoms are red, of N atoms are blue and of S atoms are dark yellow; those of C atoms of residues on the principal side are yellow and those on the complementary side are green, as in Fig. 2. Cys207, the disulfide partner of Cys208, is not labeled. A water molecule is shown as a marine-colored sphere. Blue dashed lines are potential hydrogen bonds. (a) (+)-Anatoxin-a with C atoms in cyan. (b) (−)-Hosieine-A with C atoms in gray. A potential C—H⋯O hydrogen bond between the natural product and Tyr212 is shown as a green dashed line. |