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-methyltransferase (CCoAOMT) from alfalfa. Based on x-ray structure of CCoAOMT, threedimensional structure of BhOMT was determined using MODELLER. The subs trate binding sites of these twoproteins showed slight differences, but these differences were important to characterize the substrate ofBhOMT. Automated docking study showed that four flavonoids, quercetin, fisetin, myricetin, and luteolinwhich have two hydroxyl groups simultaneously at 3'- and 4'-position in the B-ring and structural rigidity of C-ring resulting from the double bond characters between C2 and C3, were well docked as ligands of BhOMT.These flavonoids form stable hydrogen bondings with K211, R170, and hydroxyl group at 3'-position in the B-ring has stable electrostatic interaction with Ca

3D Structure of Bacillus halodurans O-Methyltransferase, a Novel Bacterial O-Methyltransferase by Comparative Homology Modeling