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. 2017 Dec 21;7:18033. doi: 10.1038/s41598-017-18243-8

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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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Superposition of OccJ and LAO binding site showing octopine in pink/magenta in OccJ and arginine in pink in LAO (PDB code 1LAF). (a) Ser72 and Asp161 in LAO (Ser91 and Asn202 in OccJ) bind the NH₃ ⁺ group of the arginine ligand. Asp161 side chain position is not compatible with a bound octopine in LAO. Double arrows indicate distances. (b) Asp161 side chain in LAO is hydrogen bonded with Gln122, which in turn interacts with Ser92.