Structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with its ligand

In a variety of cells, the Ca2+ signalling process is mediated by the endoplasmic-reticulum-membrane-associated Ca2+ release channel, inositol 1,4,5-trisphosphate (InsP3) receptor (InsP3R). Being ubiquitous and present in organisms ranging from humans to Caenorhabditis elegans, InsP3R has a vital role in the control of cellular and physiological processes as diverse as cell division, cell proliferation, apoptosis, fertilization, development, behaviour, memory and learning. Mouse type I InsP3R (InsP3R1), found in high abundance in cerebellar Purkinje cells, is a polypeptide with three major functionally distinct regions: the amino-terminal InsP3-binding region, the central modulatory region and the carboxy-terminal channel region. Here we present a 2.2-A crystal structure of the InsP3-binding core of mouse InsP3R1 in complex with InsP3. The asymmetric, boomerang-like structure consists of an N-terminal beta-trefoil domain and a C-terminal alpha-helical domain containing an 'armadillo repeat'-like fold. The cleft formed by the two domains exposes a cluster of arginine and lysine residues that coordinate the three phosphoryl groups of InsP3. Putative Ca2+-binding sites are identified in two separate locations within the InsP3-binding core.     

Purification and some properties of an amine oxidase from soybean seedlings

Summary An amine oxidase was purified 447-fold from soybean seedlings and some of its properties were investigated. The molecular weight of the enzyme was estimated to be 25,000. It was most active towards putrescine, followed by spermidine and spermine. K_m-values for these substrates were relatively close. The enzyme was strongly inhibited by carbonyl reagents, such as semicarbazide and aminoguanidine.     

The role of isotropic and anisotropic Hubbard corrections for the magnetic ordering and absolute band alignment of hematite α-Fe_2O_3(0001)surfaces

An isotropic (+U) and anisotropic [+(U-J)] corrected Density Functional Theory study for bulk hematite (α-Fe_2O_3) was carried out,and several competing terminations of its (0001) surface modeled via slabs of increasing thickness from twelve to thirty-six Fe-layers.In spite of small quantitative differences,the use of either U or (U-J)corrections showed not to qualitatively affect the results of the simulations both for bulkα-Fe_2O_3 and the lowestenergyα-Fe_2O_3(0001) surface studied,regardless of the thickness of the slab used.The energy favored antiferromagnetic ordering of bulkα-Fe_2O_3 was preserved in the relaxed slabs,with the largest surface-induced effects limited to the outermost three Fe-layers in the slabs.Mixed O-and Fe-terminations were found to be energetically favored and insulating.Conversely,fully O-or Fe-terminated surfaces were calculated to be energetically disfavored and metallic.Finally,the role of Fe-or O-termination for the semiconducting or metallic nature as well as absolute band alignment ofα-Fe_2O_3 (0001) surfaces was analyzed and discussed with respect to the challenges in enhancing the activity ofα-Fe_2O_3 samples as photo-electrode for water splitting.