title: Cytochrome P450 BM3 of Bacillus megaterium - a possible endosulfan biotransforming gene.
abstract: Computing chemistry was applied to understand biotransformation mechanism of an organochlorine pesticide, endosulfan. The stereo specific metabolic activity of human CYP-2B6 (cytochrome P450) on endosulfan has been well demonstrated. Sequence and structural similarity search revealed that the bacterium Bacillus megaterium encodes CYP-BM3, which is similar to CYP-2B6. The functional similarity was studied at organism level by batch-scale studies and it was proved that B. megaterium could metabolize endosulfan to endosulfan sulfate, as CYP-2B6 does in human system. The gene expression analyses also confirmed the possible role of CYP-BM3 in endosulfan metabolism. Thus, our results show that the protein structure based in-silico approach can help us to understand and identify microbes for remediation strategy development. To the best of our knowledge this is the first report which has extrapolated the bacterial gene for endosulfan biotransformation through in silico prediction approach for metabolic gene identification.
authors.affiliation: Environmental Health Division, CSIR-NEERI, Nagpur 440020, India.
authors.forename: Muhil Vannan
authors.initials: MV
authors.lastname: Seralathan
authors.affiliation: Environmental Health Division, CSIR-NEERI, Nagpur 440020, India.
authors.forename: Saravanadevi
authors.initials: S
authors.lastname: Sivanesan
authors.affiliation: Environmental Health Division, CSIR-NEERI, Nagpur 440020, India.
authors.forename: Amit
authors.initials: A
authors.lastname: Bafana
authors.affiliation: Analytical Instrumentation Division, CSIR-NEERI, Nagpur 440020, India.
authors.forename: Sanjay Madanchand
authors.initials: SM
authors.lastname: Kashyap
authors.affiliation: CNR-ISMAC, via De Marini, 616149 Genova, Italy.
authors.forename: Arrigo
authors.initials: A
authors.lastname: Patrizio
authors.affiliation: Environmental Health Division, CSIR-NEERI, Nagpur 440020, India. Electronic address: k_krishnamurthi@neeri.res.in.
authors.forename: Kannan
authors.initials: K
authors.lastname: Krishnamurthi
authors.affiliation: Environmental Health Division, CSIR-NEERI, Nagpur 440020, India.
authors.forename: Tapan
authors.initials: T
authors.lastname: Chakrabarti
mesh_terms: D001410:Bacillus megaterium / Q000201:enzymology*; D001711:Biotransformation; D002853:Chromatography, Liquid; D003577:Cytochrome P-450 Enzyme System / Q000378:metabolism*; D004591:Electrophoresis, Polyacrylamide Gel; D004726:Endosulfan / Q000378:metabolism*; D013058:Mass Spectrometry
chemical_list: D003577:Cytochrome P-450 Enzyme System; D004726:Endosulfan
keywords: CYP-2B6; CYP-BM3; Endosulfan; Protein structure similarity