QM/MM study of the reaction mechanism of Cl-cis,cis-muconate with muconate lactonizing enzyme.

Zhu, Ledong; Tang, Xiaowen; Li, Yanwei; Zhang, Ruiming; Wang, Junjie; Zhang, Qingzhu; Wang, Wenxing

Zhu, Ledong; Tang, Xiaowen; Li, Yanwei; Zhang, Ruiming; Wang, Junjie; Zhang, Qingzhu; Wang, Wenxing.

Afiliação

Zhu L; Environment Research Institute, Shandong University, Jinan 250100, PR China.
Tang X; School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China.
Li Y; Environment Research Institute, Shandong University, Jinan 250100, PR China.
Zhang R; Environment Research Institute, Shandong University, Jinan 250100, PR China.
Wang J; Environment Research Institute, Shandong University, Jinan 250100, PR China.
Zhang Q; Environment Research Institute, Shandong University, Jinan 250100, PR China. Electronic address: zqz@sdu.edu.cn.
Wang W; Environment Research Institute, Shandong University, Jinan 250100, PR China.

Bioorg Chem ; 80: 453-460, 2018 10.

Article em En | MEDLINE | ID: mdl-29986190

Assuntos

Liases Intramoleculares/metabolismo; Lactonas/metabolismo; Mycobacterium smegmatis/enzimologia; Ácido Sórbico/análogos & derivados; Liases Intramoleculares/química; Lactonas/química; Simulação de Acoplamento Molecular; Mycobacterium smegmatis/química; Mycobacterium smegmatis/metabolismo; Teoria Quântica; Ácido Sórbico/química; Ácido Sórbico/metabolismo; Estereoisomerismo; Especificidade por Substrato; Termodinâmica

Palavras-chave

Chlorobenzene; Cl-cis,cis-muconate; Enolase family; Muconate lactonizing enzymes; Quantum mechanics/molecular mechanics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Ácido Sórbico / Liases Intramoleculares / Mycobacterium smegmatis / Lactonas Idioma: En Revista: Bioorg Chem Ano de publicação: 2018 Tipo de documento: Article

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