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BMB Reports  2012 

In-silico and In-vitro based studies of Streptomyces peucetius CYP107N3 for oleic acid epoxidation

Keywords: Cytochrome P450 , Epoxidation , Homology Modeling/ docking , In silico , Streptomyces peucetius

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Certain members of the cytochromes P450 superfamily metabolizepolyunsaturated long-chain fatty acids to several classesof oxygenated metabolites. An approach based on in silicoanalysis predicted that Streptomyces peucetius CYP107N3might be a fatty acid-metabolizing enzyme, showing highhomology with epoxidase enzymes. Homology modeling anddocking studies of CYP107N3 showed that oleic acid can fitdirectly into the active site pocket of the double bond of oleicacid within optimum distance of 4.6 from the Fe. In order toconfirm the epoxidation activity proposed by in silico analysis,a gene coding CYP107N3 was expressed in Escherichia coli.The purified CYP107N3 was shown to catalyze C9-C10epoxidation of oleic acid in vitro to 9,10-epoxy stearic acidconfirmed by ESI-MS, HPLC-MS and GC-MS spectral analysis.


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