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. 2018 Feb 13;5:15. doi: 10.3389/fmolb.2018.00015

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Copyright © 2018 Milton, Minrovic, Harris, Kang, Jung, Lewis, Thompson, Melander, Zeng, Melander and Cavanagh.

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 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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Electrostatic map of QseB and BfmR. (A) QseB has an electronegative interface between the N- and C-terminal domains. Negative charges extend deep into the protein as shown in the blow out. (B) Docking of AGL-726 places the compound into this interface. The 2-aminoimidazole head group lines up with the electronegative region, suggesting the head group neutralizes the negative charges. (C) BfmR also contains a deep electronegative interface created between the N- and C-terminal domains. Electrostatic potential ranges from −2 (red) to +2 (blue), with 0 shown in white.