Figure 1. Structural representation of nevirapine bound in the NNRTI-BP of HIV-1 RT.

The NNRTI-BP is formed predominantly from residues in the p66 subunit of HIV-1 RT. These include Lys¹⁰³, Val¹⁰⁶, Tyr¹⁸¹ and Tyr¹⁸⁸ (depicted). The β7–β8 loop in the p51 subunit of RT (residues 132–140) is located at the base of the NNRTI-BP. Residues Ile¹³² and Ile¹³⁵, however, do not directly interact with the bound ligand. (In this structure, Ile¹³² and Ile¹³⁵ are located ∼20 Å and 13 Å from nevirapine.) This Figure was generated using PDB co-ordinates 3HVT and MOE software (Chemical Computing Group).