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. 2017 Apr 21;7:1069. doi: 10.1038/s41598-017-00917-y

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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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Binding mode of Smon0123 to unsaturated GAG disaccharides. Interactions between Smon0123 and CΔ0S (A), CΔ4S (B), or CΔ6S (C). CΔ0S, CΔ4S, and CΔ6S are shown in sticks (green, carbon atom; red, oxygen atom; blue, nitrogen atom; and yellow, sulfur atom) (stereo-diagram with wall-eyed viewing). Carbon atoms of Smon0123 residues interacting with the substrates are shown in gray lines. Direct and water-mediated hydrogen bonds between Smon0123 and substrates are shown in dashed lines colored with magenta and cyan, respectively. Water molecules (oxygen atoms) are shown as cyan balls. (D) Large space for sulfate groups of substrates. In the interaction between Smon0123 and CΔ0S (left), a number of water molecules are located in the space where a sulfate group of CΔ6S is accommodated (right).