THE DYNAMICS OF HEMERYTHRIN AND HEMERYTHRIN DERIVATIVES

Francisco CARRASCOZA; Adrian M.V. BRÂNZANIC; Radu SILAGHI-DUMITRESCU

doi:10.24193/subbchem.2021.4.29

THE DYNAMICS OF HEMERYTHRIN AND HEMERYTHRIN DERIVATIVES

Authors

Francisco CARRASCOZA Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering, 11 Arany Janos str., RO-400028, Cluj-Napoca, Romania; Institute of Computer Science, Poznan University of Technology, Ul. Piotrowo 2, 61-138, Poznan, Poland; European Centre for Bioinformatics and Genetics ECBiG, Ul. Piotrowo 2, 61-138, Poznan, Poland. https://orcid.org/0000-0003-4311-5951
Adrian M.V. BRÂNZANIC Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering, 11 Arany Janos str., RO-400028, Cluj-Napoca, Romania; Babeş-Bolyai University, Institute of Interdisciplinary Research in Bio-Nano-Sciences, 42 Treboniu Laurian str., RO- 400271, Cluj-Napoca, Romania. https://orcid.org/0000-0002-4166-0131
Radu SILAGHI-DUMITRESCU Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering, 11 Arany Janos str., RO-400028, Cluj-Napoca, Romania. *Corresponding author: radu.silaghi@ubbcluj.ro https://orcid.org/0000-0003-3038-7747

DOI:

https://doi.org/10.24193/subbchem.2021.4.29

Keywords:

hemerythrin, molecular dynamics, spin label, blood substitute, diiron.

Abstract

The non-heme diiron protein hemerythrin (Hr) has been considered as a possible alternative for semi-artificial oxygen carriers (“blood substitutes”). Studies on the stability of its octameric structure have been attempted by attaching spin labels to analyze its electron paramagnetic spectroscopy (ESR) signals. Reported here are molecular dynamics results of Hr bound with 1-oxyl-2,2,5,5-tetramethylpyrroline-3methyl (MTSSL) at the Cys51 position. Our results show that the Hr-MTSSL complex is less stable than its native form. These findings help to explain ESR signals obtained experimentally. Also, these results are crucial to understand the limitations of PEGylated spin labels for protein structural analysis and suggest the need or further exploration of other alternatives.

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STUDIA UBB CHEMIA, Volume 66 (LXVI), No. 4, December 2021

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Published

2021-12-30

How to Cite

CARRASCOZA, F., BRÂNZANIC, A. M., & SILAGHI-DUMITRESCU, R. (2021). THE DYNAMICS OF HEMERYTHRIN AND HEMERYTHRIN DERIVATIVES. Studia Universitatis Babeș-Bolyai Chemia, 66(4), 397–404. https://doi.org/10.24193/subbchem.2021.4.29