Extended Data Table 2 Comparative energies of ligands bound to VatA and to the ribosome

From: Synthetic group A streptogramin antibiotics that overcome Vat resistance

  1. Energies of VM1, 46 and 47 bound to VatA or the E. coli ribosome, as evaluated by Prime with OPLS3e/VSGB2.1 after refinement with PHENIX-OPLS3e/VSGB2.1, where ligands are decoupled from the receptor environment. Included are VatA-bound VM1 from 4HUS and E. coli ribosome-bound VM1 from 4U25.
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