5hei | pdb_00005hei

Structure of B. megaterium NfrA2

spinqualitylabelsall models 5hei, resolution 2.84Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5hei is a 8 chain structure with sequence from Atcc 14581. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: FMN, MPD, SO4 Gene: nfrA2 (ATCC 14581) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Mesotrione is a selective herbicide belonging to the triketone family commonly used on maize cultures since 2003. A mesotrione-transforming Bacillus megateriumMes11 strain isolated from an agricultural soil was used as a model to identify the key enzymes initiating the biotransformation of this herbicide. Two enzymes (called NfrA1 and NfrA2/YcnD) were identified and functionally and structurally characterized. Both belong to the NfsA FRP family of the Nitro FMN reductase superfamily (Type I oxygen-insensitive nitroreductase) and show optimal pH and temperature of 6-6.5 and 23-25 degrees C, respectively. Both undergo a ping-pong Bi-Bi mechanism, with NADPH and NADPH/NADH as cofactors for NfrA1 and NfrA2/YcnD respectively. Interestingly, both are also able to reduce various nitro-compounds including pesticides, antibiotics, one prodrug and 4-methylsulfonyl-2-nitrobenzoic acid, one of the mesotrione metabolites retrieved in the environment. This study constitutes the first identification of mesotrione-transforming enzymes. These enzymes (or their corresponding genes) could be used as biomarkers to predict the capacity of ecosystems to transform mesotrione and to assess their contamination both by the parent molecule and/or by the metabolites. Functional and structural characterization of two Bacillus megaterium nitroreductases biotransforming the herbicide mesotrione.,Carles L, Besse-Hoggan P, Joly M, Vigouroux A, Morera S, Batisson I Biochem J. 2016 Mar 22. pii: BJ20151366. PMID:27005432 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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