Figure 3

[a] Interatomic interactions of D441 (green) with the residue environment in wild-type complex. D441, located at a distance of 3.43 Å from rifampin (orange), makes hydrogen bonds with side chains of S447, R454 and N443 (black dashed lines), a carbonyl interaction with G448 (red dashed line) and proximal hydrophobic interactions with rifampin, and H451 (green dashed lines). [b] Mutant Y441 interactions with the residue environment. Y441 makes hydrogen bonds (black dashed lines), hydrophobic interactions (green dashed lines), carbon-π interactions (grey dashed lines) and donor-π interactions (blue dashed lines). [c] Mutant V441 interactions with the residue environment. Hydrogen bonding, hydrophobic and carbonyl interactions are depicted.