Insights into the biotransformation of 2,4,6-trinitrotoluene by the old yellow enzyme family of flavoproteins. A computational study.

Yang, Zhilin; Wei, Tong; Huang, Hui; Yang, Hong; Zhou, Yang; Xu, Dingguo

Yang, Zhilin; Wei, Tong; Huang, Hui; Yang, Hong; Zhou, Yang; Xu, Dingguo.

Affiliation

Yang Z; Institute of Chemical Materials, Chinese Academy of Engineering and Physics, 621900 Mianyang, China. zhouy@caep.cn.

Phys Chem Chem Phys ; 21(22): 11589-11598, 2019 Jun 05.

Article in En | MEDLINE | ID: mdl-30801593

Subject(s)

Flavoproteins/metabolism; NADPH Dehydrogenase/metabolism; Trinitrotoluene/metabolism; Animals; Bacteria/enzymology; Bacterial Proteins/chemistry; Bacterial Proteins/metabolism; Biotransformation; Catalytic Domain; Flavin Mononucleotide/chemistry; Flavoproteins/chemistry; Fungal Proteins/chemistry; Fungal Proteins/metabolism; Hymenoptera/enzymology; Insect Proteins/chemistry; Insect Proteins/metabolism; Models, Chemical; Molecular Docking Simulation; Molecular Dynamics Simulation; NADPH Dehydrogenase/chemistry; Oxidation-Reduction; Protein Binding; Saccharomyces/enzymology; Static Electricity; Trinitrotoluene/chemistry

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Full text: 1 Database: MEDLINE Main subject: Trinitrotoluene / Flavoproteins / NADPH Dehydrogenase Limits: Animals Language: En Year: 2019 Type: Article

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Full text: 1 Database: MEDLINE Main subject: Trinitrotoluene / Flavoproteins / NADPH Dehydrogenase Limits: Animals Language: En Year: 2019 Type: Article