Electronic energy barrier for the conversion of prephanate to chorismate in Chorismate Mutase and the corresponding reaction coordinate for the transition state.

“EFMO” results are from the presented work, calculated at the EFMO-RHF:MP2 level of theory with basis set denoted in the MP2 basis column for the reation complex and 6-31G(d) basis set for the rest of the system. “ONIOM” results are obtained from Steinmann et al.[21] where the structure is optimized at the RHF level with the 6-31G(d) basis set and MP2 with the basis set denoted in the MP2 basis column in an ONIOM correction.