Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation

Fanglue Wang; Dongchen Zhang; Liwen ZhangXuefeng WuShengsong DengXinyu Yuan

首页> 外文期刊>Bioprocess and biosystems engineering >Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation

【24h】

Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation

机译：Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相关主题

摘要

Abstract Manganese peroxidase (Mn P) is capable of effectively degrading anionic polyacrylamide (HPAM). However, the interaction of Mn P with HPAM at molecular level is lacking until now. Here, the HPAM model compounds, HPAM-2, HPAM-3, HPAM-4, and HPAM-5, were selected to reveal their binding mechanisms with Mn P. The results showed that the most suitable substrate for Mn P was HPAM-5, and the main reason for MnP-HPAM-5 with maximal affinity was strong hydrogen bond. LYS96 was the important key residue in all complexes, and the number of key residue was largest in MnP-HPAM-5. The optimal THR27ILE mutant may enhance the affinity of Mn P to HPAM-4. The stability of Mn P binding to HPAM-4 was the optimal. These results were helpful in designing highly efficient Mn P against HPAM to protect the ecological environment.

著录项

来源
《Bioprocess and biosystems engineering》 |2022年第8期|1349-1358|共11页
作者
Fanglue Wang; Dongchen Zhang; Liwen ZhangXuefeng WuShengsong DengXinyu Yuan;
展开▼
作者单位

Anhui University of Science and Technology;

Huainan Normal University;

Hefei University of Technology;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类
关键词
Manganese peroxidase (Mn P); Anionic polyacrylamide (HPAM); Ecological environment; Enzyme structure;

Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation

摘要

著录项

相关主题

期刊订阅