Figure 6.

Structure of the PrfA_WT-1 Complex

(A) The PrfA_WT homodimer showing the binding site of 1. The monomeric units A and B of PrfA_WT are colored in blue and gold, respectively. Two ligands bound to each monomer at two different sites, are shown as sticks.

(B and C) Quality of the electron density for compound 1 bound (A) to monomer A (site AI) and (C) to monomer B (site BII). The σ^A-weighted (2m|F_o| − D|F_c|) electron density calculated from the refined PrfA-1 complex is contoured at the root-mean-square deviation value of the map and shown in blue over compound 1 only.

(D) and (E) Key local structural features and amino acids in proximity to 1 at site AI (D) and BII (E). The ligand is colored by atom type: purple (C), green (S), blue (N), and red (O) and protein residues are colored by atom type: monomer A (C) yellow and monomer B (C) orange, green (S), blue (N), and red (O). Hydrogen bonds are indicated with dashed lines.