The structures of the ascomycetous B. aclada laccase and its L499M T1-site mutant have been solved at 1.7 Å resolution. The mutant enzyme shows a 140 mV lower redox potential of the type 1 copper and altered kinetic behaviour. The wild type and the mutant have very similar structures, which makes it possible to relate the changes in the redox potential to the L499M mutation
The unidentified ligand, which is present in the crystal of the protein with unknown function STM4435 from Salmonella typhimurium, was identified using a combination of high-resolution X-ray crystallography and accurate-mass time-of-flight mass spectrometry. The identified glycerol was present as a component of the solutions used for the isolation and crystallization of the protein and serves as the ligand mimicking the natural metabolite, presumably, 2-keto-myo-isonitol, which is indicative of the involvement of STM4435 in the myo-isonitol catabolism. The results of the present study show that this approach holds promise in complex studies aimed at determining, refining, or confirming the protein functions.
Currently, various amino bisphosphonates are widely used in the treatment of many bone diseases. One of the most well-known complex compounds of neridronic acid (6-amino-1-hydroxyhexylidene-1,1- bisphosphonic acid) is sodium neridronate – a bisphosphonate, which is used to treat osteogenesis and Paget's disease. However, there is no data on compounds of neridronic acid with rare earth elements. A new complex of lanthanum with 6-amino-1-hydroxyhexylidene-1,1-bisphosphonic acid (I) was obtained and characterized by various physicochemical methods (chemical analysis, IR spectroscopy, solid-phase 31P NMR spectroscopy, optical microscopy, PCA, DTA). According to the research data the complex I has the composition {La[(H3N-(CH2)5-C(OH)(PO2(OH))2]2(H2O)2}[OH]·H2O and represents the coordination 1D-polymer due to two bridged phosphonic groups with lanthanum atoms in a tetragonal-antiprismatic environment. In a crystal, polymer chains form a 3D-frame porous structure by means of strong hydrogen bonds O─H ··· O and N─H ··· O with endless channels, available to include a variety of inorganic anions or small organic molecules. A study under the microscope showed that the sample is needle crystals (thin rods) of different lengths. The particle size distribution was obtained by laser diffraction, and the average particle size was determined: 50 µm in length and 2.5 µm in thickness.
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