The iron-sulfur bond in cytochrome c

Authors
Rovira, C Carloni, P Parrinello, M
Citation
C. Rovira et al., The iron-sulfur bond in cytochrome c, J PHYS CH B, 103(33), 1999, pp. 7031-7035
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
33
Year of publication
1999
Pages
7031 - 7035
Database
ISI
SICI code
1520-6106(19990819)103:33<7031:TIBICC>2.0.ZU;2-3
Abstract
We present a density functional study on models of the Fe(II)- and Fe(III)- cytochrome c prosthetic groups. Our calculations indicate that most of the well-known stability of Fe(II) relative to Fe(III) is due to stronger metal -S (Met 80) sigma interactions. The polarization effects due to the protein frame appear not to affect significantly the Fe-S bonding.