Molecular dynamics analysis reveals structural insights into mechanism of nicotine N-demethylation catalyzed by tobacco cytochrome P450 mono-oxygenase

PLoS ONE

Volumn 6, Issue 8, 2011, Pages

  Wang, Shan ^b   Yang, Shuo ^b   An, Baiyi ^b   Wang, Shichen ^a   Yin, Yuejia ^a   Lu, Yang ^b   Xu, Ying ^b,c   Hao, Dongyun ^a,b  

^a JILIN ACADEMY OF AGRICULTURAL SCIENCES   (China)

^b JILIN UNIVERSITY   (China)

^c University of Georgia   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYSTEINE; CYTOCHROME P450; MUTANT PROTEIN; N DEMETHYLASE; NITROSAMINE; NORNICOTINE; PROTEIN CYP82E3; PROTEIN CYP82E4; TRYPTOPHAN; UNCLASSIFIED DRUG; ISOENZYME; NICOTINE; NICOTINE DEMETHYLASE, TOBACCO; VEGETABLE PROTEIN;

AMINO ACID SUBSTITUTION; ARTICLE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DEMETHYLATION; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME MECHANISM; ENZYME METABOLISM; ENZYME STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MUTATIONAL ANALYSIS; PROCESS MODEL; PROTEIN SECONDARY STRUCTURE; SEQUENCE ALIGNMENT; SITE DIRECTED MUTAGENESIS; STRUCTURE ANALYSIS; AMINO ACID SEQUENCE; BIOCATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENZYME SPECIFICITY; GENETICS; METABOLISM; METHYLATION; MOLECULAR GENETICS; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; SEQUENCE HOMOLOGY;

NICOTIANA TABACUM;

AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; BIOCATALYSIS; CATALYTIC DOMAIN; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; ISOENZYMES; METHYLATION; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; MUTAGENESIS, SITE-DIRECTED; NICOTINE; OXIDOREDUCTASES, N-DEMETHYLATING; PLANT PROTEINS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SEQUENCE HOMOLOGY, AMINO ACID; SUBSTRATE SPECIFICITY;

EID: 80051677848     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0023342     Document Type: Article

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