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. 2017 May 9;7:1632. doi: 10.1038/s41598-017-01756-7

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Structure of NS5-MTase_MS2042. (a) Overall structure of NS5-MTase_MS2042 with labeled secondary structures. (b) Qualitative electrostatic surface potential of NS5-MTase_MS2042 showing the shallow cavity accommodating the 4-fluorophenyl group of MS2042. The SAM portion of MS2042 is partially hidden from view (c) F_o-F_c difference density over MS2042 contoured at 2.5σ. Superimposition of MS2042 bound to molecules A and B reveals a slight difference in the orientation of the 4-fluorophenyl groups. (d) Interactions of MS2042 with the protein chain. Hydrogen bonds and solvent molecules are depicted as dashed lines and red spheres, respectively.