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Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation

ATP phosphoribosyltransferase catalyses the first step of histidine biosynthesis and is controlled via a complex allosteric mechanism where the regulatory protein HisZ enhances catalysis by the catalytic protein HisGS while mediating allosteric inhibition by histidine. Activation by HisZ was proposed to position HisGS Arg56 to stabilise departure of the pyrophosphate leaving group. Here we report

The evolution of multiple active site configurations in a designed enzyme

Developments in computational chemistry, bioinformatics, and laboratory evolution have facilitated the de novo design and catalytic optimization of enzymes. Besides creating useful catalysts, the generation and iterative improvement of designed enzymes can provide valuable insight into the interplay between the many phenomena that have been suggested to contribute to catalysis. In this work, we fo

Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B

Monoamine oxidase (MAO), which exists in two isozymic forms, MAO A and MAO B, is an important flavoenzyme responsible for the metabolism of amine neurotransmitters such as dopamine, serotonin, and norepinephrine. Despite extensive research effort, neither the catalytic nor the inhibition mechanisms of MAO have been completely understood. There has also been dispute with regard to the protonation s

Design and implementation of a web interface for Axis global testing Live Sites

Designing and developing a software product is a difficult process. The product must be usable and solve the correct problem. At the same time, the underlying code must be well written. Many projects fail to deliver or exceed their budget. This thesis explores a practical approach to software design and development that tries to adhere to both user centered design and agile development. The proces

Groundwater flow modelling to address hydrogeological response of a contaminated site to remediation measures at Hjortsberga, southern Sweden

Pentaklorfenol (PCP) är en klorerad aromatisk förening som användes flitigt för att behandla trä mot mikrobiell nedbrytning innan den blev förbjuden på 70-talet. På grund av dess höga löslighet förekommer PCP som en grundvattenförorening kring äldre sågverk. Hjortsberga i södra Sverige är ett exempel på denna typ av förorening och är det område som undersöks i arbetet. Förorenat grundvatten spridsPentachlorophenol (PCP) is a chlorinated aromatic compound that was commonly used for treatment of wood against microbial degradation before it got banned in the 1970s. Due to its solubility in water, PCP is a common groundwater contaminant around old sawmills, for example near Hjortsberga in southern Sweden where this study was performed.. The contaminated groundwater is spreading and leaking int

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

Comparison of quantitative ultrasound measurements in calcaneus with DXA and SXA at other skeletal sites: a population-based study on 280 children aged 11-16 years

We performed ultrasound measurements (QUS) of the calcaneus in a population-based setting on 280 healthy children, aged 11-16 years, from a small urban area in southern Sweden. The results are compared with dual-energy X-ray absorptiometry (DXA) measurements in the total body, the lumbar spine and the hip, as well as single-energy X-ray absorptiometry (SXA) of the forearm. Normative data and corre

Pollen analysis, chronology and palaeomagnetism of three Late Weichselian sites in southern Sweden

Popular Abstract in Swedish Pollenanalys, kronologi och paleomagnetism på tre senglaciala lokaler i södra Sverige Senglaciala sjösediment (d.v.s. avsatta under slutet av den senaste istiden) från tre bassänger i södra Sverige, Torreberga i Skåne, Farslycke i Blekinge och Bolmen i Småland, har studerats med avseende på pollensammansättning och paleomagnetism. Åldersbestämning och tidsjämförelser b

Screening the molecular surface of human anticoagulant protein C: a search for interaction sites

Protein C (PC), a 62 kDa multi-modular zymogen, is activated to an anticoagulant serine protease (activated PC or APC) by thrombin bound to thrombomodulin on the surface of endothelial cells. PC/APC interacts with many proteins and the characterisation of these interactions is not trivial. However, molecular modelling methods help to study these complex biological processes and provide basis for r

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

Crystal Structure of dUTPase from Equine Infectious Anaemia Virus; Active Site Metal Binding in a Substrate Analogue Complex

The X-ray structures of dUTPase from equine infectious anaemia virus (EIAV) in unliganded and complexed forms have been determined to 1.9 and 2.0 A resolution, respectively. The structures were solved by molecular replacement using Escherichia coli dUTPase as search model. The exploitation of a relatively novel refinement approach for the initial model, combining maximum likelihood refinement with

Enhanced Organo-Metal Halide Perovskite Photoluminescence from Nanosized Defect-Free Crystallites and Emitting Sites

Photoluminescence (PL) of organo-metal halide perovskite semiconductors can be enhanced by several orders of magnitude by exposure to visible light. We applied PL microscopy and super-resolution optical imaging to investigate this phenomenon with spatial resolution better than 10 nm using films of CH3NH3PbI3 prepared by the equimolar solution-deposition method, resulting in crystals of different s

Site-dependent N uptake from N-form mixtures by arctic plants, soil microbes and ectomycorrhizal fungi

Abstract in UndeterminedSoil microbes constitute an important control on nitrogen (N) turnover and retention in arctic ecosystems where N availability is the main constraint on primary production. Ectomycorrhizal (ECM) symbioses may facilitate plant competition for the specific N pools available in various arctic ecosystems. We report here our study on the N uptake patterns of coexisting plants an