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. 2020 Nov 26;10:20615. doi: 10.1038/s41598-020-77699-3

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© The Author(s) 2020

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Correlations of MMP1 interdomain distance with catalytic pocket opening when MMP1 is not bound to a substrate. Examples of (A) open and (B) closed conformations of MMP1. The interdomain distances between S142 and S366 and corresponding catalytic pocketing openings between N171 and T230 have been noted. Spheres and cages represent the van der Waals radii. Yellow cage: E219; Wheat sphere: calcium; Mauve sphere: zinc. (C,D) are scatter plots of interdomain distance and catalytic pocket opening for the open and closed conformations. Two distances are calculated using ANM simulations (see “Methods”).