H-1 NMR and NOE measurements have been performed on reduced HiPIP from Chromatium vinosum. 1D and 2D saturation transfer experiments have allowed a full correlation between the isotropically shifted signals of the reduced and oxidized species. The pairwise assignment of the cysteine geminal beta-CH2 protons is performed. This allows the relative evaluation of the expectation value [S(iz)] for each iron ion i as well as its temperature dependence. A theoretical approach has been able to account for upfield shifts of beta-CH2 cysteine protons in the oxidized species. The H-1 NMR data turn out to be a valuable benchmark for testing theoretical models for Fe4S4 clusters. The present model supports the existence of a mixed-valence pair with S = 9/2 ground state in the oxidized protein and is consistent with the presence of analogous mixed-valence pairs also in the reduced protein. The NMR data on the oxidized protein also show that, even at room temperature, electron delocalization mainly occurs within one particular Fe(II)-Fe(III) pair.
H-1-NMR SPECTROSCOPY AND THE ELECTRONIC-STRUCTURE OF THE HIGH-POTENTIAL IRON SULFUR PROTEIN FROM CHROMATIUM-VINOSUM / Bertini, I; Briganti, F; Luchinat, C; Scozzafava, A; Sola, Marco. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 113(1991), pp. 1237-1245.
Data di pubblicazione: | 1991 | |
Titolo: | H-1-NMR SPECTROSCOPY AND THE ELECTRONIC-STRUCTURE OF THE HIGH-POTENTIAL IRON SULFUR PROTEIN FROM CHROMATIUM-VINOSUM | |
Autore/i: | Bertini, I; Briganti, F; Luchinat, C; Scozzafava, A; Sola, Marco | |
Autore/i UNIMORE: | ||
Rivista: | ||
Volume: | 113 | |
Pagina iniziale: | 1237 | |
Pagina finale: | 1245 | |
Codice identificativo ISI: | WOS:A1991EX60300025 | |
Codice identificativo Scopus: | 2-s2.0-0001464435 | |
Citazione: | H-1-NMR SPECTROSCOPY AND THE ELECTRONIC-STRUCTURE OF THE HIGH-POTENTIAL IRON SULFUR PROTEIN FROM CHROMATIUM-VINOSUM / Bertini, I; Briganti, F; Luchinat, C; Scozzafava, A; Sola, Marco. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 113(1991), pp. 1237-1245. | |
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