Figure 7. Computational docking of BMS-790052 to NS5A^1–191.

(a) The 3FQQ dimer model, coloured as in Fig. 1d. Known BMS-790052 resistance mutation residues for genotype 1b (L23, L31, P32, F37, Q54, P58, I63, Y93)⁶ and genotype 1a (M28, Q30, L31, P32, H54, Y93)⁶ are in red. BMS-790052 (blue sticks) docks into the channel formed by the dimer and interacts with many of the resistance mutation residues. (b) The 3FQQ dimer model shown as a molecular surface. View is a rotation of −90° about the X-axis from that shown in (a), looking directly down onto the cleft at the dimer interface. BMS-790052 depicted as blue and red cpk. * denotes residues from the yellow monomer.