Insight into enzymatic nitrile reduction: QM/MM study of the catalytic mechanism of QueF nitrile reductase

ACS Catalysis

Volumn 5, Issue 6, 2015, Pages 3740-3751

  Ribeiro, António J M ^a   Yang, Lifeng ^b   Ramos, Maria J ^a   Fernandes, Pedro A ^a   Liang, Zhao Xun ^b   Hirao, Hajime ^c  

^a UNIVERSITY OF PORTO   (Portugal)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c Nanyang Technological University   (Singapore)

Author keywords

biocatalyst; covalent intermediate; enzyme catalysis; nitrile reductase; transition state

Indexed keywords

AMINO ACIDS; BIOCATALYSTS; BIOCHEMICAL ENGINEERING; CATALYSIS; CYANIDES; ENZYME ACTIVITY; FREE ENERGY; HYDRIDES; NITROGEN COMPOUNDS; QUANTUM CHEMISTRY; REACTION INTERMEDIATES; REDUCTION; SUBSTRATES;

CATALYTIC CYSTEINE RESIDUE; COVALENT INTERMEDIATE; ENZYME CATALYSIS; FOUR-ELECTRON REDUCTION; NITRILE REDUCTASE; PHARMACEUTICAL INDUSTRY; PROTEIN CONFORMATIONAL CHANGES; TRANSITION STATE;

ENZYMES;

EID: 84930621017     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b00528     Document Type: Article

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