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. 2021 May 26;8:679915. doi: 10.3389/fmolb.2021.679915

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Copyright © 2021 D’Amico, Bosken, O’Rourke, Murray, Admasu, Chang and Boehr.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Displacement of βH6 towards αTS leads to widening of indole channel which is further supported by weaker interactions between the channel lining residues βTyr279 and βPhe280 with residues of βH6 in A198W. (A) Distance between center of mass of residues βTyr279/βPhe280 and βH6 lining the affected tunnel portion (B) Pairwise force distribution analysis indicates that interactions for residues βTyr279 and βPhe280 have different trends in WT and A198W. (C) Interactions between βTyr279 and βLys167 position the aromatic ring within the indole channel. Active sites in both subunits (grey–α subunit, pink–β subunit) are represented as atom colored surface. Indole path is shown in green surface and the affected portion of the channel is mapped in cyan. See also Supplementary Figure 12.