Common Hydrogen Bond Interactions in Diverse Phosphoryl Transfer Active Sites
Figure 8
Impact of protonation of the γ-oxygens.
Protonation at the γ-oxygens decreases the effects of the O3β hydrogen bond on both A) the magnitude of hyperconjugation and B) the O3β—Pγ bond length. Changes are calculated relative to corresponding structures without a D•••O3β hydrogen bond. The ability of interactions with the O3β to increase the scissile bond depends substantially on the presence of strong intrinsic hyperconjugation in the ligand.