A dual catalytic architecture promotes C-2 stereo-inversion of CDP-glucose by the CDP-tyvelose 2-epimerase from Thermodesulfatator atlanticus

Dataset for the molecular Dynamics data of TaTyv enzyme in complex with mannose (CDM) and glucose (CDG) of the homonomous manuscript 'A dual catalytic architecture promotes C-2 stereo-inversion of CDP-glucose by the CDP-tyvelose 2-epimerase from Thermodesulfatator atlanticus': topology and initial coordinates; 3x independent MD simulation trajectories (as DCD files); analysis data (RMSD, distances, dihedrals).