A molecular dynamics and quantum mechanical investigation of intermolecular interaction and electron-transfer mechanism between copper-containing nitrite reductase and redox partner pseudoazurin

Author:

Li Xin1,Zou Hang2ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China

2. School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China

Abstract

This work illustrates the intermolecular interaction between CuNiR and redox partner PAz and demonstrates the crucial role of Met84 in intermolecular electron transfer.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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