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. 2018 Jul 20;9:1610. doi: 10.3389/fmicb.2018.01610

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Copyright © 2018 Rühl, Haas, Seipel, Becker and Kletzin.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Molecular representations of the AcPDO 3D model with glutathione from the PpPDO structure (5VE5). (A) Theoretical model of GSH in the AcPDO active site structure and predicted hydrogen bonds; boldface amino acid residues were mutagenized in this study. (B) C₈₆ and C₂₂₃ in the MxPDO 3D structure (gray) and in the AcPDO model (green). (C) Comparison of the secondary coordination sphere around D_129/130 between the MxPDO (gray) and the AcPDO (green) originating from the S₁₁₆ residue in the MxPDO.