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. 2021 Nov 8;11:21787. doi: 10.1038/s41598-021-00236-3

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© The Author(s) 2021

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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2F_obs− F_calc electron density contoured to 1.5 $σ$ with the modeled phylloquinone in the PsaA and PsaB electron transport pathways. For aromatic residues PsaA-Trp697 and PsaA-Phe689 of PsaA and PsaB-Trp677 and PsaB-Phe669 of PsaB (salmon) the orientation obtained from the cryogenic structure (1JB0) is overlaid in cyan. PsaA-Phe689 is twisted relative to the cryogenic structure to a more parallel orientation with the phylloquinone. The B site reveals PsaB-Phe669 in an orientation more perpendicular to the plane of the phylloquinone. The stick representation of the PsaB-Phe669 and PsaA-Phe689 aromatic ring plane angles to phylloquinone in room temperature structure versus 1JB0 is shown in the inset. Both sites reveal significant shifts of atomic coordinates. Figure generated with Pymol v. 2.4.0a0. https://pymol.org.