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This lack of coordination imparted mobility to the hydroxymethyl group and enabled a crucial hydrogen bond with the catalytic acid during and after the reaction. This suggests the possibility of a non-hydrolytic reaction mechanism when the catalytic base aspartic acid is missing, as is the case in some LTs (murein transglycosylase A (MltA)), and expansins. We calculated reaction free energies and demonstrate the thermodynamic feasibility of the hydrolytic and non-hydrolytic reaction mechanisms. Our results provide molecular insights in

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