Two Aromatic Rings Coupled a Sulfur-Containing Group
to Favor Protein Electron Transfer by Instantaneous Formations of
π∴S:π↔π:S∴π or π∴π:S↔π:π∴S
Five-Electron Bindings
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Abstract
The
cooperative interactions among two aromatic rings with a S-containing
group are described, which may participate in electron hole transport
in proteins. Ab initio calculations reveal the possibility for the
formations of the π∴S:π↔π:S∴π
and π∴π:S↔π:π∴S five-electron
bindings in the corresponding microsurrounding structures in proteins,
both facilitating electron hole transport as efficient relay stations.
The relay functionality of these two special structures comes from
their low local ionization energies and proper binding energies, which
varies with the different aromatic amino acids, S-containing residues,
and the arrangements of the same aromatic rings according to the local
microsurroundings in proteins