6uff

Structure of Ene-reductase 1 NostocER1 from cyanobacteriaStructure of Ene-reductase 1 NostocER1 from cyanobacteria

Structural highlights 6uff is a 8 chain structure with sequence from Nostoc sp. PCC 7120 = FACHB-418. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.007Å Ligands: , Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q8YVV8_NOSS1 Publication Abstract from PubMed Flavin-dependent 'ene'-reductases (EREDs) are highly selective catalysts for the asymmetric reduction of activated alkenes. This function is, however, limited to enones, enoates, and nitroalkenes using the native hydride transfer mechanism. Here we demonstrate that EREDs can reduce vinyl pyridines when irradiated with visible light in the presence of a photoredox catalyst. Experimental evidence suggests the reaction proceeds via a radical mechanism where the vinyl pyridine is reduced to the corresponding neutral benzylic radical in solution. DFT calculations reveal this radical to be "dynamically stable", suggesting it is sufficiently long lived to diffuse into the enzyme active site for stereoselective hydrogen atom transfer. This reduction mechanism is distinct from the native one, highlighting the opportunity to expand the synthetic capabilities of existing enzyme platforms by exploiting new mechanistic paradigms. Photoenzymatic Hydrogenation of Heteroaromatic Olefins using 'Ene'-Reductases with Photoredox Catalysts.,Hyster T, Nakano Y, Black MJ, Meichan AJ, Sandoval BA, Chung M, Biegasiewicz K, Zhu T Angew Chem Int Ed Engl. 2020 Mar 17. doi: 10.1002/anie.202003125. PMID:32181943 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

spinqualitylabelsall models 6uff, resolution 2.01Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image