Investigation of the rescue mechanism catalyzed by a nucleophile mutant of rice BGlu1

- Substrates can be docked into the pocket of E386G mutant.
- The rescue mechanism is a concerted process with a calculated energy barrier of 22.6 kcal/mol.
- The low barrier suggests that anionic formate might be a good nucleophile.
- The external nucleophile has little steric hindrance with pocket residues.