Figure 2.

Putative binding modes of EMAC2045 and EMAC2056 and critical residues individuated for their binding in the pocket 1: (a, d) EMAC2045-HIV-1 RT complex and EMAC2056-HIV-1 RT complex; (b and e) close-up into the EMAC2045 and EMAC2056 binding site; (c and f) 2D depiction of EMAC2045 and its respective interactions with RT residues. pale yellow sphere indicates hydrophobic interactions with lipophilic residues. Red arrow indicates a hydrogen bond (HB) acceptor interaction, while the violet sphere represents the aromatic π − π stacking interaction.