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. 2022 Jan 24;12(2):194. doi: 10.3390/biom12020194

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Results from His-only unrestrained refinement in LsAA9AEc_2 structure (cyan colored). His147 shows single protonation Nε2 atom. The Nis-brace residues (internal control) show their single protonation state. The H-bond distance between the Nδ1 and backbone N atoms of His147 is shown in Å. The structure of LsAA9A_Ao (PDB id: 5ACG, yellow colored) is shown for comparison with 1^st His methylated (HIC) and the two water molecules bound to the Cu(II). The oxygen species binds at the position of H₂O_eq. The figure was prepared with Pymol.