Figure 5
Additional potential THF binding site in zNt-FDH. (a) An additional THF binding site with clear electron density (green mesh) for THF is observed in the cavity between two zNt-FDH molecules. The THF molecules in the active sites are shown with electron density (blue mesh). The 2Fo − Fc electron-density maps are contoured at 1.0σ. (b) The omitted Fo − Fc electron-density map of THF (yellow ball-and-stick representation) is contoured at 2.0σ. This additional THF is stabilized by the interaction between two zNt-FDH molecules. One molecule is shown in cyan and the other in green. Hydrogen bonds are presented as orange dotted lines. (c) The electrostatic surface (blue, positive charge; red, negative charge) of the additional THF binding site with bound THF (magenta ball-and-stick representation). Two zNt-FDH molecules are shown in green and cyan, respectively, in ribbon representation. |