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. 2020 Jan 28;10:1315. doi: 10.1038/s41598-020-57913-y

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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 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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Ancestral PAL/TALs form tetramers despite non-conserved interfaces between monomers. (a) Homology model of MEGA_A1 showing the distribution of ancestral mutations. Monomers are coloured in grey (monomer A), magenta (monomer B), yellow (monomer C) and green (monomer D). All ancestral mutations are coloured in blue in monomer A, and surface mutations within 4 Å of another monomer are shown as balls. Catalytically active group MIO is shown in cyan for monomer A for reference of the active site location. The model was built in YASARA using the crystal structure of PAL/TAL from Rhodotorula turoloides (PDB, 1Y2M⁷) as a template. (b) Possibly coupled ancestral mutations in the oligomerization interfaces. The mutations for monomer A are listed in blue and the corresponding mutations in proximity are coloured according to monomer. Mutations are noted with RgPAL residues on the left and the corresponding residue in MEGA_A1 on the right.