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

Giuseppe Sciortino1, Eugenio Garribba2

  • 1Departament de Química, Universitat Autònoma de Barcelona, Cerdanyola del Vallés 08193, Barcelona, Spain. giuseppe.sciortino@uab.cat and Dipartimento di Chimica e Farmacia, Università di Sassari, Via Vienna 2, Sassari I-07100, Italy. garribba@uniss.it.

Chemical Communications (Cambridge, England)
|September 14, 2020
PubMed

The binding modes of VIVO2+ ions to hemoglobin (Hb), human serum transferrin (hTf), immunoglobulin G (IgG), vanadium bromoperoxidase (VBrPO) and VIVO2+-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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