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. 2023 Aug 26;12(9):1086. doi: 10.3390/pathogens12091086

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© 2023 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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Structural elements involved in the binding of glucuronides. Representation of the active center of GUS enzymes shown in (A) EcGUS (PDB 3K4D) (green) with the Y-loop and aromatic cage highlighted in orange and a molecule of estrone-3-glucuronide (yellow) modelled; (B) Mini-Loop 1 GUS of Bacteroides fragilis (PDB 3CMG) (green) highlighting the location of the mini-Loop 1 (magenta) involved in the binding of E-glucuronides. (C) Detail of the interactions of the water molecules 2 and 3 (cyan) in the active center of EcGUS (PDB 3K4D) (green) (left panel) compared with those observed in BuGUS-1 (pink) (right panel) involving residues Y382 and W383.