FIGURE 4.

Binding site and model of LP4C with PyrR. Overview of the docked pose between the LP4C and binding pocket to the active site of PyrR(A). The close view of the interaction between LP4C and the active site of PyrR (B). The analyzed result of the aromatic ring edges or faces (C), hydrophobicity (D), hydrogen bond (E) and ionizability (F). The analyzed result of the atomic charge, values less than -0.1 are mapped in red, and values larger than +0.1 are mapped in blue (G). The analyzed result of the solvent accessibility surface, small values (green) correspond to buried residues, whereas large values (blue) correspond to exposed residues (H).