Xenbase Image ID: 170237

Figure 2—figure supplement 2. Ion coordination analysis.First shell coordination of Na+ and K+ by oxygen atoms from water and protein (backbone and side chains) in the ASIC pore; offset relative to bulk coordination numbers for clarity (5.8 and 7.0 for Na+ and K+, respectively). Positions of key residues are indicated with gray dashed lines. Based on the positions of the first minima in the radial distribution functions of oxygen atoms, cutoffs of 3.2 and 3.6 Å were applied to Na+ and K+, respectively. (A) Free simulation of 4NTW. (B) Free simulation of 2QTS. (C) Umbrella sampling simulations for 4NTW, generally consistent with free simulations in (A). (D) Umbrella sampling simulations of 2QTS, consistent with results in (B).DOI: http://dx.doi.org/10.7554/eLife.24630.006 Image published in: Lynagh T et al. (2017) © 2017, Lynagh et al. This image is reproduced with permission of the journal and the copyright holder. This is an open-access article distributed under the terms of the Creative Commons Attribution license Larger Image Printer Friendly View

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