9qi9

Crystal structure of styrene monooxygenase RhStyA

spinqualitylabelsall models 9qi9, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 9qi9 is a 1 chain structure with sequence from Rhodococcus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.8Å Ligands: NO3, PG0 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function G3XEX2_9NOCA Publication Abstract from PubMed The enantioselective manipulation of abundant flat (hetero)aromatic building blocks through either dearomatization, to establish new stereocenters, or cross-coupling, to construct a stereogenic axis, is an attractive means to generate three-dimensional molecular architectures. By merging the selectivity of engineered biocatalysts with the versatility of chemical synthesis, we establish a new platform for the metal-free enantioselective manipulation of sulfur-containing heteroaromatics, allowing either point or axial chirality to be set. The key to this approach is our ability to leverage the prochirality of sulfur heteroarenes; biocatalytic oxidation of benzothiophenes "switches on" reactivity and establishes a sulfur stereocenter that directs the stereochemical course of subsequent cross-couplings with non-prefunctionalized partners. Exploiting a previously unexplored mechanism, either point-to-point or point-to-axial chirality transfer from sulfur selectively delivers two different sets of chiral molecules. Enzyme evolution is used to convert a wild-type oxygenase into an efficient and selective engineered S-oxygenase capable of furnishing enantiopure benzothiophene S-oxides horizontal line little-known sulfoxides whose configurational stability we map out. Our integrated chemoenzymatic approach provides a blueprint for unlocking the potential of sulfur chirality, lying dormant in important heterocycles, to direct transformations that deliver diverse enantioenriched products. Biocatalytic Activation of Sulfur Heteroaromatics Facilitates Dearomatizing Cross-Couplings to Set Stereogenic Centers or Axes.,Conboy O, Rushworth EQ, Taylor CJ, Levy CW, Ortmayer M, Whitehead GFS, Yen A, Romano C, Green AP, Procter DJ J Am Chem Soc. 2025 Nov 19;147(46):43057-43066. doi: 10.1021/jacs.5c16261. Epub , 2025 Nov 4. PMID:41187905 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

Proteopedia Page Contributors and Editors (what is this?)

OCA