Figure 3

The interatomic interactions between residues creating the N-site and bound E-CFCP-TP. (a) Overall view for the HIV-1 RT4M N-site with E-CFCP-TP. Hydrogen bonds and metal-chelating interactions are indicated by dotted lines. (b) Interatomic interactions around fluoromethylene and Mg2+. The interactions between the fluorine atom of E-CFCP-TP and nearby atoms derived from Met184 and Asp185 are shown by dotted lines, and their distances are also indicated. The YMDD loop is labeled in red. (c) Interactions around the 4′-cyano of E-CFCP-TP. Interatomic interactions between 4′-cyano nitrogen and nearby atoms derived from the residues creating the hydrophobic pocket (Ala114/Phe115/Phe160/Met184/Asp185). Atomic interactions with residues forming the side wall of the hydrophobic pocket are indicated by black dotted lines, and atomic interactions with Phe160 forming the bottom of the pocket are indicated by red dotted lines. The interatomic distances are also labeled.