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KMID : 0545120070170121991
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Journal of Microbiology and Biotechnology
2007 Volume.17 No. 12 p.1991 ~ p.1995
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O-Methylation of Flavonoids Using DnrK Based on Molecular Docking
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Kim Na-Yeon
Kim Jeong-Ho
Lee Youn-Ho
Lee Eun-Jung
Kim Jin-Young
Lim Yoong-Ho
Chong You-Hoon
Ahn Joong-Hoon
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Abstract
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O-Methylation is a common substitution reaction found in microbes as well as in mammalians. Some of the Omethyltransferases (OMTs) have broad substrate specificity and could be used to methylate various compounds. DnrK from Streptomyces peucetius encodes an anthracycline 4-Omethyltransferase, which uses carminomycin as a substrate, and its crystal structure has been determined. Molecular docking experiments with DnrK using various flavonoids were successfully conducted, and some of the flavonoids such as apigenin and genistein were predicted to serve as substrates. Based on these results, O-methylations of various flavonoids with the DnrK were successfully carried out. The methylation position was determined to be at the hydroxyl group of C7. Important amino acid residues for the enzymatic reaction of DnrK with apigenin could be identified using sitedirected mutagenesis. Molecular docking could be useful to predict the substrate specificity ranges of other OMTs.
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KEYWORD
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DnrK, flavonoid, O-methyltransferase
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