7uz1

Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-bromo-valienide.

spinqualitylabelsall models 7uz1, resolution 1.58Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7uz1 is a 2 chain structure with sequence from Saccharolobus solfataricus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.58Å Ligands: EDO, OM0 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function BGAL_SACS2 Publication Abstract from PubMed Suitably configured allyl ethers of unsaturated cyclitols act as substrates of beta-glycosidases, reacting via allylic cation transition states. Incorporation of halogens at the vinylic position of these carbasugars, along with an activated leaving group, generates potent inactivators of beta-glycosidases. Enzymatic turnover of these halogenated cyclitols (F, Cl, Br) displayed a counter-intuitive trend wherein the most electronegative substituents yielded the most labile pseudo-glycosidic linkages. Structures of complexes with the Sulfolobus beta-glucosidase revealed similar enzyme-ligand interactions to those seen in complexes with a 2-fluorosugar inhibitor, the lone exception being displacement of tyrosine 322 from the active site by the halogen. Mutation of Y322 to Y322F largely abolished glycosidase activity, consistent with lost interactions at O5, but minimally affected (7-fold) rates of carbasugar hydrolysis, yielding a more selective enzyme for unsaturated cyclitol ether hydrolysis. Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors.,Danby PM, Jeong A, Sim L, Sweeney RP, Wardman JF, Karimi R, Geissner A, Worrall LJ, Reid JP, Strynadka NCJ, Withers SG Angew Chem Int Ed Engl. 2023 May 15;62(21):e202301258. doi: , 10.1002/anie.202301258. Epub 2023 Apr 14. PMID:36940280 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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