Geometries (PDB files) of the model systems atomic Cartesian coordinates associated with all steps in catalytic mechanism of B12-dependent and independent glycerol dehydratase (GDH) calculated using QM/MM method

We provide PDBs with Cartesian coordinates of all steps including enzyme geometries of reactants, transition states, intermediates and products calculated with QM/MM using model systems of B12-dependent and independent GDH.<br>All folders and PDB files within are titled in a way that one can easily associate geometries with figures from SI that follows the corresponding manuscript.<br>