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. 2017 Jul 13;7:5343. doi: 10.1038/s41598-017-05557-w

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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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CONCISE analysis of PMM/PGM complexes and mixtures. (A,B) Probability densities of different states are plotted in units of standard deviations of average PC scores for (A) PMM/PGM(S108C) and (B) wt PMM/PGM. The dashed curves in (B) symbolize mixtures of phosphosugars present with the minor phosphosugar listed second. * refers to the likelihood of the G16P added to wt enzyme being transformed in part to G6P and G1P. (C–E) Generally increasing amide CSPs accompany the progression of increasing average PC scores. The CSPs are calculated relative to E_P using Eq. 1. Increasing CSPs of (B) E_deP, (C) E_P+G6P, G1P (major, minor sugars), and (D) E_P+X1P states are symbolized by increased radius and red tint of the spheres plotted on the crystal structures with PDB accession codes of 1K35, 1P5G, and 2H5A, respectively.