Role of loop dynamics in thermal stability of mesophilic and thermophilic adenylosuccinate synthetase: A molecular dynamics and normal mode analysis study

► Reduced loop movements in thermophilic adenylosuccinate synthetase (AdSS). ► Switch Loop and catalytic residues pre-arranged. ► Enhanced salt bridges and stability at high temperatures in theromophilic AdSS. ► Coordinated VAL and ASP loop movements sufficient for ligand entry.