The dynamics of hemerythrin and hemerythrin derivatives
[ 1 ] Instytut Informatyki, Wydział Informatyki i Telekomunikacji, Politechnika Poznańska | [ P ] employee
2021
scientific article
english
- hemerythrin
- molecular dynamics
- spin label
- blood substitute
- diiron
EN The non-heme diiron protein hemerythrin (Hr) has been considered as a possible alternative for semi-artificial oxygen carriers (“blood substitutes”). Studies on the stabilit y 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.
397 - 404
CC BY-NC-ND (attribution - noncommercial - no derivatives)
open journal
final published version
at the time of publication
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