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. 2022 Jan 7;12:116. doi: 10.1038/s41598-021-04099-6

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© The Author(s) 2022

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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The simulated complex structure of PEA-15/ERK2. (A) PEA-15 in the complex (green) is superimposed with its free form (blue) with the RMSD 2.734 Å for the DED. Helix α3 is uncoiled and shifts in α2 and α4 can also be observed. (B) ERK2 in the complex is superimposed with the crystal structure of 4IZ5 with the RMSD 2.002 Å. The overall backbone of ERK2 does not show any significant difference between the simulated and crystal structure. The molecular structures were visualized and generated using PyMOL version 2.4 (http://www.pymol.org/).