The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations

Archives of Biochemistry and Biophysics

Volumn 507, Issue 1, 2011, Pages 14-25

  Cho, Kyung Bin ^a   Lai, Wenzhen ^a   Hamberg, Mats ^b   Raman, C S ^c   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b KAROLINSKA INSTITUTE   (Sweden)

^c UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

Allene oxide synthase; Compound II; CYP74; Hydroperoxide lyase; P450; QM MM

Indexed keywords

ALLENE OXIDE SYNTHASE; HYDROPEROXIDE; LINOLEIC ACID; LYASE; OXYGENASE; UNCLASSIFIED DRUG; 13 HYDROXYPEROXY LINOLENIC ACID; HYDROLYASE; HYDROPEROXIDE LYASE; LEUCINE; LINOLENIC ACID; PHENYLALANINE; SYNTHETASE;

ARABIDOPSIS; ARTICLE; CALCULATION; COMPUTER MODEL; CONTROLLED STUDY; EXPERIMENTAL STUDY; MUTATION; NONHUMAN; PRIORITY JOURNAL; REACTION ANALYSIS; RICE; WILD TYPE; AMINO ACID SUBSTITUTION; CRYSTAL STRUCTURE; ENZYME ACTIVITY; ENZYME ANALYSIS; ENZYME MECHANISM; ENZYME SUBSTRATE; GENE MUTATION; MOLECULAR MECHANICS; QUANTUM MECHANICS; SIGNAL TRANSDUCTION; THEORETICAL MODEL;

ALDEHYDE-LYASES; ALKADIENES; ARABIDOPSIS; CYTOCHROME P-450 ENZYME SYSTEM; EPOXY COMPOUNDS; INTRAMOLECULAR OXIDOREDUCTASES; LINOLEIC ACIDS; MODELS, MOLECULAR; MUTATION; ORYZA SATIVA; OXIDES; QUANTUM THEORY;

ARABIDOPSIS;

EID: 79951563496     PISSN: 00039861     EISSN: 10960384     Source Type: Journal    
DOI: 10.1016/j.abb.2010.07.016     Document Type: Article

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