Crystal structure of HIV-1 IN^Y15A,F185H•GSK1264 complex.

(A) Shown is a simulated annealing composite-omit 2F_o-F_c electron density map contoured to 1.5 σ (shown in blue). Contiguous electron density is observed for the catalytic core domains, the CTDs, and GSK1264 (red), but the NTDs are disordered. (B) Simulated annealing F_o-F_c map density for GSK1264, contoured to 3σ (shown in blue). (C) The ALLINI-bound HIV-1 IN polymer observed in crystals. One dimer of HIV-1 IN comprises the asymmetric unit. Bound GSK1264 is shown by the red spheres, two interacting dimers are highlighted in the dotted box, and additional subunits of the open polymer are shown in light grey. (D) Cartoon of the CTD–catalytic core domain interaction, where the hand represents the CTD, the ball represents the catalytic core domain dimer, and GSK1264 is shown in red. See also S2 Fig and S2 Table.