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Crystal structure and biophysical properties of Bacillus subtilis BdbD: An oxidizing thiol:disulfide oxidoreductase containing a novel metal site

BdbD is a thiol: disulfide oxidoreductase (TDOR) from Bacillus subtilis that functions to introduce disulfide bonds in substrate proteins/peptides on the outside of the cytoplasmic membrane and, as such, plays a key role in disulfide bond management. Here we demonstrate that the protein is membrane-associated in B. subtilis and present the crystal structure of the soluble part of the protein lacki

Forest water use and water use efficiency at elevated CO2: a model-data intercomparison at two contrasting temperate forest FACE sites

Predicted responses of transpiration to elevated atmospheric CO2 concentration (eCO2) are highly variable amongst process-based models. To better understand and constrain this variability amongst models, we conducted an intercomparison of 11 ecosystem models applied to data from two forest free-air CO2 enrichment (FACE) experiments at Duke University and Oak Ridge National Laboratory. We analysed

Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding.

The quaternary phase Ca5Mg0.95Ag1.05(1)Ge5 (3) was synthesized by high-temperature solid-state techniques, and its crystal structure was determined by single-crystal diffraction methods in the orthorhombic space group Pnma - Wyckoff sequence c(12) with a = 23.1481(4) Å, b = 4.4736(1) Å, c = 11.0128(2) Å, V = 1140.43(4) Å(3), Z = 4. The crystal structure can be described as linear intergrowths of s

Amino Acid Oxidation of Candida antarctica Lipase B Studied by Molecular Dynamics Simulations and Site-Directed Mutagenesis

Molecular dynamics simulations have been performed on lipase B from Candida antarctica (CalB) in its native form and with one or two oxidized residues, either methionine oxidized to methionine sulfoxide, tryptophan oxidized to 5-hydroxytryptophan, or cystine oxidized to a pair of cysteic acid residues. We have analyzed how these oxidations affect the general structure of the protein as well as the

The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics

The recognition of carbohydrates by proteins is a fundamental aspect of communication within and between living cells. Understanding the molecular basis of carbohydrate-protein interactions is a prerequisite for the rational design of synthetic ligands. Here we report the high- to ultrahigh-resolution crystal structures of the carbohydrate recognition domain of galectin-3 (Gal3C) in the ligand-fre

The impact of plant water uptake and recharge on groundwater level at a site in the Loess Plateau of China

Shallow groundwater in unconsolidated sediments represents a substantial water resource in the Chinese Loess Plateau. However, prior to development of the water supply for agriculture, annual and seasonal fluctuation of the recharge mechanism should be clarified. Since the region is arid, the effect of plant water uptake on groundwater fluctuation must also be assessed. A study was therefore under

Low Migratory Connectivity and Use of Multiple Non-Breeding Sites in American Golden-Plovers Breeding Across the Nearctic Tundra

Aim: Many populations of migratory birds are currently declining. Understanding space use throughout the entire annual cycle, as well as migratory connectivity (i.e., geographic linkage of individuals and populations across different stages of the annual cycle), can improve our ability to identify factors driving population declines and influencing extinction risk. The main objectives of our study

Distorted octahedral sites drive early formation and stabilisation of nickel oxyhydroxides in trimetallic nickel–iron–molybdenum oxides

Trimetallic nickel–iron–molybdenum oxides are excellent electrocatalysts for alkaline water electrolysis despite experiencing severe molybdenum dissolution. While the impact of molybdenum on fresh samples is well-understood, its substantial loss during operation without compromising performance presents a unique puzzle. Here, we show that the initial presence of molybdenum induces the formation of

Protonation State of Active-Site Histidines, Reaction Mechanism and Stereoselectivity in β-Alanine Synthase : A Computational Study

β-Alanine synthase (βAS), which is a dizinc metalloenzyme, catalyzes the irreversible hydrolysis of N-carbamyl-β-alanine (NCβA) to β-alanine. This enzyme has potential applications for β-amino acid production. Understanding the reaction mechanism and selectivity of βAS at atomic details can help design and engineer the enzyme for cascade biocatalysis. Here, the protonation states of two conserved

Values shaping consumer interactions on social commerce sites within game retail

The game industry has continued to grow for decades and the social interaction trend has been growing for years in gaming. In retail, the e-commerce companies have been extending the social interaction trend to the e-commerce platforms and turning the e-commerce into social commerce. Even though the social commerce and gaming have aroused the interest of the researchers earlier, social commerce in

Behavioural ecology and choice of foraging sites by male great snipes (gallinago media) outside the leks: implications for conservation management

Formerly widely distributed throughout Europe, the great snipe (Gallinago media) – a medium-sized wader species – has experienced an important decline in the last century, mainly driven by habitat loss. Remaining population are now restricted to eastern Europe and Scandinavia and the species is considered endangered. The great snipe (Gallinago media) is a food specialist, feeding almost exclusivel

The mitochondrial and prokaryotic proton-translocating NADH:ubiquinone oxidoreductases: similarities and dissimilarities of the quinone-junction sites

The catalytic properties of the rotenone-sensitive NADH:ubiquinone reductase (Complex I) in bovine heart submitochondrial particles and in inside-out vesicles derived from Paracoccus denitrificans and Rhodobacter capsulatus were compared. The prokaryotic enzymes catalyze the NADH oxidase and NADH:quinone reductase reactions with similar kinetic parameters as those for the mammalian Complex I, exce