Raw data to: Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule

Initial configuration (PDB) and TIGER2hPE ensemble of all four simulations (R1-4) reported in this study in DCD trajectory format: AcuA + AcsA + Acetyl-CoA Acua + AcsA + Acetyl-CoA (AcuA:K549 deprotonated) AcuA + AcsA + CoA + AcP (Acetyl-Phosphate) AcuA + AcsA + Desulfo-CoA