Figure 3.

QM/MM modelling of the reaction in the enzyme chorismate mutase (Lyne et al. 1995; Ranaghan et al. 2003; Claeyssens et al. 2006). The transition state for the conversion of chorismate to prephenate, bound in the active site of the enzyme, is shown. Chorismate mutase catalyses the reaction by electrostatic stabilization of the transition state, in particular by a charged arginine residue (also shown) close to the substrate (Strajbl et al. 2003a; Claeyssens et al. 2005; Guimaraes et al. 2005).