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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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Structures of full length response regulators show two conformations. (A) PmrA (PDB ID 4S05) is in a “tucked/extended” state when bound to DNA in a crystal. Molecular dynamics of solution state PmrA in the absence of DNA relaxes to a “tucked/tucked” state. Structure model represents the top scoring pose from each cluster based on free energy minimization. (B) Crystal structure of KdpE bound to DNA (PDB ID 4KNY) also is in a “tucked/extended” conformation. (C) The apo structure of ComE (PDB ID 4CBV) is in a “tucked/tucked” state similar to the relaxed PmrA.