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  • substrate
  • We present complete atomistic models of SyrB2 in complex with its native substrate L -threonine as well as L -α-amino butyric acid and L -norvaline (all conjugated to the pantetheine tether), constructed by molecular docking and extensive MD simulations. (rsc.org)
  • group
  • Upon binding, the acetyl-CoA molecule forms a J-shape inserted into the binding pocket, by an intramolecular hydrogen bond between N7 of the adenine ring and a hydroxyl group on the pantetheine tail. (wikipedia.org)