Figure 4.
Partial charge shifts during hydrolysis. An electron shift to the magnesium ion occurs before hydrolysis, which is reverted by the bond cleavage and Pi release. The charge shifts result from differences in the charges relative to the previous state starting from GTP in water without a magnesium ion. (a–c) Changes in the precatalytic states, (d) towards the intermediate state and (e) towards the product state. The charges of each state are described in Table S3. All charge shifts are given in the unit of the electron charge e0. (Arrows) Direction in which electrons are transferred.