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. 2016 May 6;8(5):129. doi: 10.3390/toxins8050129

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© 2016 by the authors; licensee MDPI, Basel, Switzerland.

This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).

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Binding of STX and some of its analogs with the residues from the Na_v1.4 Model 2 according to this docking study: (a) STX; (b) decarbamoyl saxitoxin (dcSTX); (c) B toxin (B2); (d) p-hydroxybenzoyl (GC6); (e) di-hydroxybenzoyl (GC3a); and (f) sulfobenzoyl (GC5b). Spheres = toxins; sticks = Na_v residues. These toxins represent those that have the lowest ΔG values per family of toxins and for which the main non-bond interactions are electrostatic, e.g., between guanidinium and E403 and D400, except for GC3a, as well as between sulfate groups and K1237, except for GC5b.