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Báo cáo khoa học: Insight into the phosphodiesterase mechanism from combined QM ⁄ MM free energy simulations pot

Báo cáo khoa học: Insight into the phosphodiesterase mechanism from combined QM ⁄ MM free energy simulations pot

Báo cáo khoa học: Insight into the phosphodiesterase mechanism from combined QM MM free energy simulations pot

... Journal 278 (2011) 2579–2595 ª 2011 The Authors Journal compilation ª 2011 FEBS 2595 Insight into the phosphodiesterase mechanism from combined QM MM free energy simulations Kin-Yiu Wong* and Jiali ... without the formation of the intermediate. The estimated reaction energy from the reactant toproduct in Fig. 3 is )17.4 kcalÆmol)1, whereas the free energy change from the intermediate to the ... forth from one hydrogen atom to another, the value of Dbetween the two hydrogen atoms can be so short andtheir positions can possibly overlap. The cAMP-bound complex from the present QM MM MD simulations...
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Báo cáo khóa học: Insight into the activation mechanism of Bordetella pertussis adenylate cyclase by calmodulin using fluorescence spectroscopy pptx

Báo cáo khóa học: Insight into the activation mechanism of Bordetella pertussis adenylate cyclase by calmodulin using fluorescence spectroscopy pptx

... 0.34, the intrinsic A0valuemeasured for the immobile probe in vitrified medium [27].Taking into account the additive rule of the anisotropies, wecalculated the initial anisotropy value for the ... as these probes are eitherimmobilized for the former (Fig. 8) or only slowly mobilefor the latter (Fig. 9C). This suggests that the acrylodanemission transition moment is oriented close to the ... also observed on CaM binding, but in the reverse direction from that for AC: from 1.7 to 1.3. The mechanisms of activation of the two proteins by CaMmay therefore be different.Keywords: adenylate...
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Tài liệu Báo cáo khoa học: nsights into the reaction mechanism of glycosyl hydrolase family 49 Site-directed mutagenesis and substrate preference of isopullulanase doc

Tài liệu Báo cáo khoa học: nsights into the reaction mechanism of glycosyl hydrolase family 49 Site-directed mutagenesis and substrate preference of isopullulanase doc

... 20–564), and the model iscomposed of residues 25–540. The overall structure of the model of IPU and the mutated residues in this study areshown in Fig. 3. To elucidate the mechanism of the substrate ... carried out using panose as the substrate. The anomericforms of t he hydrolysate are equilibrated immediately by the addition of ammonium hydroxide, and the change in the optical rotation was compared ... DNAsequencing, and the origin al StyI–XbaI fragment ofpIPA118(–) was replaced with the mutated StyI–XbaIfragment. The EcoRI–BamHI fragments o f these plasmidswere further subcloned into pHIL-S1.Expression...
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Tài liệu Báo cáo khoa học: Insights into the structure of plant a-type phospholipase D Susanne Stumpe, Stephan Konig and Renate Ulbrich-Hofmann ¨ ppt

Tài liệu Báo cáo khoa học: Insights into the structure of plant a-type phospholipase D Susanne Stumpe, Stephan Konig and Renate Ulbrich-Hofmann ¨ ppt

... illustrates the quality of the experimental data(Fig. 2B).Reconstruction of the overall shape of the PLDa2 from the X-ray scattering data was achieved by the ab initio modeling program dammin [24]. The ... calculated from the SAXS pattern. The balls represent the dummy atoms used in the simulated annealing procedure of programDAMMIN [24] to restore the models. The model resulting from superposition ... constants in the range of 0.5 mm were estimated from isothermal titration calorimetry[36]. The C2 domains of other proteins showed cal-cium-binding affinities in the range of 1–50 lm [37,38].As the...
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Tài liệu Báo cáo khoa học: Insights into the interaction of human arginase II with substrate and manganese ions by site-directed mutagenesis and kinetic studies Alteration of substrate specificity by replacement of Asn149 with Asp docx

Tài liệu Báo cáo khoa học: Insights into the interaction of human arginase II with substrate and manganese ions by site-directed mutagenesis and kinetic studies Alteration of substrate specificity by replacement of Asn149 with Asp docx

... analysis, the purified enzymewas activated by incubation with 2 mm MnCl2in 10 mm Tris HCl pH 8.0 for 30 min at 37 °C, and then the free metalion was removed by dialysis against 10 mm Tris HCl ... measuring the formation of urea from l-arginine or agmatine in50 mm glycine NaOH pH 9.0. In studying the effect ofpH on enzyme activities, buffers used were 50 mm Tris HCl pH 7–8.7 and 50 mm glycine ... manganeseions, because metal -free species were totally inactive in the absence of added Mn2+. At the optimum pH, the Kmfor agmatine (2.5 ± 0.2 mm) was very close to the Kmof the wild-type arginase...
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Báo cáo khoa học: Investigations into the ability of an oblique a-helical template to provide the basis for design of an antimicrobial anionic amphiphilic peptide pot

Báo cáo khoa học: Investigations into the ability of an oblique a-helical template to provide the basis for design of an antimicrobial anionic amphiphilic peptide pot

... is the surfacepressure. These data were then recorded as the variation ofDGMixwith monolayer surface pressure (Table 3). Numer-ical data were calculated from compression isotherms using the ... 2006 The Authors Journal compilation ª 2006 FEBS 3793was the minimum bulk concentration required to sat-urate the air water interface with the peptide underthese experimental conditions. These ... expansion of these bacterialmembrane mimics because of peptide interactions.Values for the Gibbs free energy of mixing (DGMix)(Table 3) were derived from the compression isothermsshown...
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Báo cáo khoa học: Insights into the activation of brain serine racemase by the multi-PDZ domain glutamate receptor interacting protein, divalent cations and ATP ppt

Báo cáo khoa học: Insights into the activation of brain serine racemase by the multi-PDZ domain glutamate receptor interacting protein, divalent cations and ATP ppt

... both the Kmand the Vmaxof the reaction. The Kmfor d-serine synthesis increased from 1.9 mm in the absence of GRIP fragment (filled circles) to 3.4 inits presence (empty circles), whereas the ... we immunoprecipitated the transfected SR from the COS7 cells and investigated whether the PDZ6 domain of GRIP effectively associated with the carboxy-terminal end of SR. As shown in Fig. 1A, the ... Experimental pro-cedures). The results provided by the program werefully consistent in that all of them rendered the samehit with the highest score: the SR from the fissionyeast S. pombe (40%...
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Báo cáo khoa học: Insights into the design of a hybrid system between Anabaena ferredoxin-NADP+ reductase and bovine adrenodoxin pot

Báo cáo khoa học: Insights into the design of a hybrid system between Anabaena ferredoxin-NADP+ reductase and bovine adrenodoxin pot

... the changes introduced in the redox cofactor environment upon complex formation. Theyare therefore related to the specificity and the strength of the protein–protein interaction. Therefore, the ... FNR using the same binding site alsosupports the idea of the similarity in the recognitionmechanisms for ET proteins [5]. Additional examples canalso be found in the superfamily of the cytochromes ... is interesting to point out the differentarrangement of the [2Fe)2S] centres of these Fds. The cyanobacterial Fd presents an increased shielding from the solventoftheactiveFeinETwhencomparedwiththatofAdx....
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Tài liệu Báo cáo Y học: Insights into the reaction mechanism of Escherichia coli agmatinase by site-directed mutagenesis and molecular modelling ppt

Tài liệu Báo cáo Y học: Insights into the reaction mechanism of Escherichia coli agmatinase by site-directed mutagenesis and molecular modelling ppt

... indicating that the environ-ment of tryptophan residues is essentially conserved in the mutant enzyme. On the other hand, the absence of majordifferences in the CD spectra of the wild-type and ... of the manganeseions. This, together with the fact that the positions of otherFig. 4. A superimposition of the structures of B. caldovelox arginase(red), rat liver arginase (yellow) and the ... (blue). Note the shorter extension, in the case of E. coliagmatinase, of the loop indicated by the letter a.Fig. 5. Scheme of the binuclear manganese cluster and the localizationof the side-chains...
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Báo cáo khoa học: Characterization of the glutamyl endopeptidase from Staphylococcus aureus expressed in Escherichia coli pptx

Báo cáo khoa học: Characterization of the glutamyl endopeptidase from Staphylococcus aureus expressed in Escherichia coli pptx

... starting from Leu1. Therefore, the requirement of Val at the N-terminus might be depen-dent on the conformation of each protease. It wouldbe interesting to test whether or not the substitution of the ... N-termini of the processed forms were not the 69th substituted amino acids, but entirely Ile70. Theseresults show that thermolysin attacks the Xaa69-Ile70bond of the mutant rather than the Ser-Xaa69(Xaa ... nonpro-cessed GluV8 is distinct from the simple summation of the pro- and mature polypeptides. Hence, the propep-tide seems to prevent the mature polypeptide from converting to a more compact...
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