Next, root mean square fluctuation (RMSF) values of acetyl-CoA synthetase in complex with lactate suggested a well-acceptable range of fluctuations for lactate (0.4 to 1.8 Å) and acetate (0.5 to 1.6 Å) specifically in the region spanning from 280 to 550 amino acid residues (Figure and). These residues from 280 to 550 position of acetyl-CoA synthetase is known for substrate binding and catalytic activity. The MD simulations explain the interaction fraction of the acetyl-CoA enzyme residues with the lactate and acetate, which means how much % of the simulation time the specific interactions of these residues maintained ligand-protein complexes.