The binding modes of VIVO2+ ions in blood proteins and enzymes

Giuseppe Sciortino; Eugenio Garribba

doi:10.1039/D0CC04595K

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The binding modes of V^IVO²⁺ ions in blood proteins and enzymes†

Giuseppe Sciortino

*^ab and Eugenio Garribba

*^b

Author affiliations

* Corresponding authors

^a Departament de Química, Universitat Autònoma de Barcelona, Cerdanyola del Vallés 08193, Barcelona, Spain
E-mail: giuseppe.sciortino@uab.cat

^b Dipartimento di Chimica e Farmacia, Università di Sassari, Via Vienna 2, Sassari I-07100, Italy
E-mail: garribba@uniss.it

Abstract

The binding modes of V^IVO²⁺ ions to hemoglobin (Hb), human serum transferrin (hTf), immunoglobulin G (IgG), vanadium bromoperoxidase (VBrPO) and V^IVO²⁺-substituted imidazoleglycerol-phosphatase dehydratase (IGPD) were determined by a combined approach of full DFT and MM techniques. These results reproduce and explain the experimental spectroscopic (EPR and ESEEM) data.

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Article information

DOI: https://doi.org/10.1039/D0CC04595K
Article type: Communication
Submitted: 02 Jul 2020
Accepted: 28 Aug 2020
First published: 28 Aug 2020

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Chem. Commun., 2020,56, 12218-12221

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The binding modes of V^IVO²⁺ ions in blood proteins and enzymes

G. Sciortino and E. Garribba, Chem. Commun., 2020, 56, 12218 DOI: 10.1039/D0CC04595K

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