Figure 7.

Structure of the R447G-hE3 variant (PDB ID: 6I4S). (A) (2mF_o-DF_c) composite omit map (1.5σ) confirms the substitution in R447G-hE3. The two chains are colored with two shades of teal. Arg460 was modeled with two alternative conformations in chain B. (B) H⁺/H₂O channel and relevant polar side chains are shown (as for Fig. 6B) in R447G-hE3 (dark/light teal; FAD′: raspberry) and hE3 (beige/grey; FAD′: beige). (C) H⁺/H₂O channels computed by Caver are shown in hE3 (green mesh) and R447G-hE3 (orange); only dominant conformers were considered for calculation. (D) Surface polarity analysis of the LA-binding and H⁺/H₂O channels in R447G-hE3 is presented using an arbitrary scale (red: negative, blue: positive).