In Silico and In Vitro Comparison of HIV-1 Subtypes B and CRF02_AG Integrases Susceptibility to Integrase Strand Transfer Inhibitors

Figure 4

RAL (green), ELV (magenta), and L731,988 (cyan) best poses predicted by Glide. The inhibitors were docked into the active site of unbound IN (top) and IN⋅DNA complex (middle) and IN in holo conformation without DNA (bottom) from of the B (in blue) and CRF02_AG (in yellow). Proteins and DNA are shown as cartoons, inhibitors as sticks, and Mg⁺² cations as balls.

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