7w9y

Crystal structure of Bacillus subtilis YugJ in complex with NADP and nickel

spinqualitylabelsall models 7w9y, resolution 1.93Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7w9y is a 4 chain structure with sequence from Bacillus subtilis subsp. spizizenii ATCC 6633 = JCM 2499. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.93Å Ligands: NAP, NI Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A0A5F2KLJ3_BACIU Publication Abstract from PubMed NAD(H)/NADP(H)-dependent aldehyde/alcohol oxidoreductase (AAOR) participates in a wide range of physiologically important cellular processes by reducing aldehydes or oxidizing alcohols. Among AAOR substrates, furan aldehyde is highly toxic to microorganisms. To counteract the toxic effect of furan aldehyde, some bacteria have evolved AAOR that converts furan aldehyde into a less toxic alcohol. Based on biochemical and structural analyses, we identified Bacillus subtilis YugJ as an atypical AAOR that reduces furan aldehyde. YugJ displayed high substrate specificity toward 5-hydroxymethylfurfural (HMF), a furan aldehyde, in an NADPH- and Ni(2+)-dependent manner. YugJ folds into a two-domain structure consisting of a Rossmann-like domain and an alpha-helical domain. YugJ interacts with NADP and Ni(2+) using the interdomain cleft of YugJ. A comparative analysis of three YugJ structures indicated that NADP(H) binding plays a key role in modulating the interdomain dynamics of YugJ. Noticeably, a nitrate ion was found in proximity to the nicotinamide ring of NADP in the YugJ structure, and the HMF-reducing activity of YugJ was inhibited by nitrate, providing insights into the substrate-binding mode of YugJ. These findings contribute to the characterization of the YugJ-mediated furan aldehyde reduction mechanism and to the rational design of improved furan aldehyde reductases for the biofuel industry. Structural and Biochemical Analysis of the Furan Aldehyde Reductase YugJ from Bacillus subtilis.,Cho HY, Nam MS, Hong HJ, Song WS, Yoon SI Int J Mol Sci. 2022 Feb 8;23(3):1882. doi: 10.3390/ijms23031882. PMID:35163804 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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