Aromatic Residues Regulating Electron Relay Ability of S-Containing Amino Acids by Formations of S蟺 Multicenter Three-Electron Bonds in Proteins

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• 作者：Xiaohua Chen ; Ye Tao ; Jilai Li ; Hongjing Dai ; Weichao Sun ; Xuri Huang ; Zidong Wei
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：September 20, 2012
• 年：2012
• 卷：116
• 期：37
• 页码：19682-19688
• 全文大小：292K
• 年卷期：v.116,no.37(September 20, 2012)
• ISSN：1932-7455

文摘

The ab initio calculations predict that the side chains of four aromatic amino acids (Phe, His, Tyr, and Trp residues) may promote methionine and cystine residues to participate in the protein electron hole transport by the formation of special multicenter, three-electron bonds (S蟺) between the S-atoms and the aromatic rings. The formations of S蟺 bonds can efficiently lower the local ionization energies, which drive the electron hole moving to the close side chains of S-containing and aromatic residues in proteins. Additionally, the proper binding energies for the S蟺 bonds imply that the self-movement of proteins can dissociate these three-electron bonds and promote electron hole relay.