6sji | pdb_00006sji

The structure of thiocyanate dehydrogenase from Thioalkalivibrio paradoxus mutant with His 482 replaced by Gln

spinqualitylabelsall models 6sji, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6sji is a 4 chain structure with sequence from Thioalkalivibrio paradoxus ARh 1. 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: CU, SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function W0DP94_9GAMM Publication Abstract from PubMed Biocatalytic copper centers are generally involved in the activation and reduction of dioxygen, with only few exceptions known. Here we report the discovery and characterization of a previously undescribed copper center that forms the active site of a copper-containing enzyme thiocyanate dehydrogenase (suggested EC 1.8.2.7) that was purified from the haloalkaliphilic sulfur-oxidizing bacterium of the genus Thioalkalivibrio ubiquitous in saline alkaline soda lakes. The copper cluster is formed by three copper ions located at the corners of a near-isosceles triangle and facilitates a direct thiocyanate conversion into cyanate, elemental sulfur, and two reducing equivalents without involvement of molecular oxygen. A molecular mechanism of catalysis is suggested based on high-resolution three-dimensional structures, electron paramagnetic resonance (EPR) spectroscopy, quantum mechanics/molecular mechanics (QM/MM) simulations, kinetic studies, and the results of site-directed mutagenesis. Trinuclear copper biocatalytic center forms an active site of thiocyanate dehydrogenase.,Tikhonova TV, Sorokin DY, Hagen WR, Khrenova MG, Muyzer G, Rakitina TV, Shabalin IG, Trofimov AA, Tsallagov SI, Popov VO Proc Natl Acad Sci U S A. 2020 Feb 24. pii: 1922133117. doi:, 10.1073/pnas.1922133117. PMID:32094184 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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