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https://hdl.handle.net/20.500.14279/9345
Τίτλος: | Nitrite coordination in myoglobin |
Συγγραφείς: | Ioannou, Androulla Lambrou, Alexandra Daskalakis, Vangelis Pinakoulaki, Eftychia |
Major Field of Science: | Natural Sciences |
Field Category: | Chemical Sciences |
Λέξεις-κλειδιά: | Density functional theory calculations;Heme proteins;Nitrite;Raman spectroscopy |
Ημερομηνία Έκδοσης: | 1-Ιαν-2017 |
Πηγή: | Journal of Inorganic Biochemistry, 2017, vol. 166, pp. 49-54 |
Volume: | 166 |
Start page: | 49 |
End page: | 54 |
Περιοδικό: | Journal of Inorganic Biochemistry |
Περίληψη: | The coordination of nitrite in myoglobin (Mb) has been characterized by resonance Raman spectroscopy and the frequencies of the nitrite bound to the heme Fe as well to the 2-vinyl have been computed by density functional theory (DFT) calculations. The DFT Natural Bond Orbital (NBO) analysis and the extensive isotope-labeling in the resonance Raman experiments indicate that NO2− (O1[sbnd]N[dbnd]O2) is bound to the heme Fe via O1. Based on the vibrational characterization of the reversible transition between low and high spin Fe[sbnd]O[sbnd]N[dbnd]O/2-nitrovinyl species, we suggest that the key step that triggers the spin-change is the increase of the proximal Fe[sbnd]NHis93 bond length. The frequencies of the O and N sensitive bands of the Fe[sbnd]O[sbnd]N[dbnd]O/2-nitrovinyl species remained largely unchanged in the low- to high-spin transition. Therefore the “greening” process in the reaction of ferric Mb with NO2− proceeds through the Fe[sbnd]O[sbnd]N[dbnd]O/2-nitrovinyl species, which can exist in either the high or low-spin state. |
URI: | https://hdl.handle.net/20.500.14279/9345 |
ISSN: | 01620134 |
DOI: | 10.1016/j.jinorgbio.2016.10.002 |
Rights: | © Elsevier |
Type: | Article |
Affiliation: | Cyprus University of Technology University of Cyprus |
Publication Type: | Peer Reviewed |
Εμφανίζεται στις συλλογές: | Άρθρα/Articles |
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