QM/MM study of the mechanism of enzymatic limonene 1,2-epoxide hydrolysis

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1824, Issue 2, 2012, Pages 263-268

  Hou, Q Q ^a   Sheng, X ^a   Wang, J H ^a   Liu, Y J ^a,b   Liu, C B ^a  

^a SHANDONG UNIVERSITY   (China)

^b NORTHWEST INSTITUTE OF PLATEAU BIOLOGY   (China)

Author keywords

Epoxide ring opening; Hydrolases; Mutation; QM MM; Reaction mechanism

Indexed keywords

ARGININE; CARBON; EPOXIDE; EPOXIDE HYDROLASE; LIMONENE 1,2 EPOXIDE; LIMONENE 1,2 EPOXIDE HYDROLASE; TYROSINE; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; CATALYSIS; HYDROLYSIS; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTUM MECHANICS; SITE DIRECTED MUTAGENESIS;

BACTERIAL PROTEINS; BIOCATALYSIS; CATALYTIC DOMAIN; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; EPOXIDE HYDROLASES; HYDROLYSIS; MODELS, MOLECULAR; MONOTERPENES; MUTAGENESIS, SITE-DIRECTED; PROTEIN STRUCTURE, TERTIARY; QUANTUM THEORY; RHODOCOCCUS; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 83055163706     PISSN: 15709639     EISSN: 18781454     Source Type: Journal    
DOI: 10.1016/j.bbapap.2011.08.014     Document Type: Article

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