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. 2020 Mar 17;139(3):65. doi: 10.1007/s00214-020-2555-6

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© The Author(s) 2020

Open AccessThis 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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Fig. 1 — a The azurin protein (gray) with His124, Trp122, the Re complex, and the Cu center (green) highlighted. b Zoom on the moieties studied here: Trp122 in brown/yellow (indole in yellow), His124 in red/orange (imidazole in orange), ${Re(CO)}_{3}$ group in black, and the Dmp ligand in blue. c The “small system” [Re(CO) $_{3}$ (phenanthroline)(imidazole)] $^{+}$ . d The Trp-including model system studied here (anchor atoms in black)