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. 2021 May 15;24(6):102542. doi: 10.1016/j.isci.2021.102542

Figure 5.

Figure 5

Molecular rendering showing the positions of two peptides that were photolabeled by VX-770 DIAZ

The major domains of CFTR are colored as in Figure 4 with MSD1 in red, NBD1 in yellow, MSD2 in cobalt blue and NBD2 in green. The magenta mesh shows the labeled helix extending from 934-946 and the cyan mesh corresponds to labeled helix extending from 1049-1060. The cryo-EM studies by Liu et al. (Liu et al., 2019) identified VX-770 coordinated by residues 304, 308, 312, and 933, close to the position shown as the magenta mesh. The molecular dynamics simulations in the present study showed interaction of VX-770 with the region highlighted by the cyan mesh. Similarly, HDX studies by Byrne et al. (Byrnes et al., 2018) implicated the ICL4, proximal to the helix shown as cyan. Cartoon generated from pdb. 6MSM using PYMOL 2.4.1.