The iron-sulfur bond in cytochrome c

被引：60

作者：

Rovira, C

Carloni, P

Parrinello, M

机构：

[1] Int Sch Adv Studies, SISSA, ISAS, I-34014 Trieste, Italy

[2] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

[3] Int Ctr Genet Engn & Biotechnol, I-34012 Trieste, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1999年 / 103卷 / 33期

关键词：

D O I：

10.1021/jp990832n

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

收藏

页码：7031 / 7035

页数：5

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