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81.
Penel Simon; Morrison R.Gwilym; Dobson Paul D.; Mortishire-Smith Russell J.; Doig Andrew J. 《Protein engineering, design & selection : PEDS》2003,16(12):957-961
We analysed the length distributions of different types of ß-strandin a high resolution, non-homologous set of 500 protein structures,finding differences in their mean lengths. Antiparallel edgestrands in strandturnstrand motifs show a preferencefor an even number of residues. This propensity is enhancedif the length is corrected for ß-bulges, which insertan extra residue into the strand. Residues in antiparallel edgeß-strands alternate between being in hydrogen bondedand non-hydrogen bonded rings. Antiparallel edges with an evennumber of residues are more likely to have their final ßresidue in a non-hydrogen bonded ring. This suggests that non-hydrogenbonded rings are intrinsically more stable than hydrogen bondedrings, perhaps because its side chain packing is closer. Therefore,we suggest that a simple way to increase ß-hairpinstability, or the stability of an antiparallel edge strand,is to have a non-hydrogen bonded ring at the end of the strand. Received June 19, 2003; revised October 25, 2003; accepted November 7, 2003 相似文献
82.
A series of statistical copolymers derived from 2‐(dimethylamino)ethyl methacrylate with four different hydrophobic comonomers (ethyl, butyl, cyclohexyl, and octyl methacrylates) have been prepared via conventional free radical copolymerization under bulk conditions. The copolymers have been subsequently modified, with 1,3‐propanesultone to yield the corresponding polysulfoproylbetaine derivatives. Those copolymers exhibiting the requisite aqueous solubility have been screened with respect to their antimicrobial activity against two common and notorious pathogens, namely Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). We show that certain copolymers do indeed exhibit antimicrobial activity. The extent of activity is related to the molecular characteristics of the materials such as the molar composition and structure of the hydrophobic comonomer. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 1036–1041, 2006 相似文献
83.
McDonald Shawn M.; Willson Richard C.; McCammon J.Andrew 《Protein engineering, design & selection : PEDS》1995,8(9):915-924
The titration behavior of the ionizable residues of the HyHEL-5henegg lysozyme complex and its individual components has beenstudied using continuum electrostatic calculations. Severalresidues of HyHEL-5 had pKa values shifted away from model valuesfor isolated residues by more than three pH units. Shifts awayfrom the model values were smaller for the residues of hen egglysozyme. A moderate variation in the pKa values of the titratablegroups was observed upon increase of the ionic strength from0 to 100 mM, amounting to 12 pH units in most cases.Under physiological conditions, the net charge of HyHEL-5 wasopposite that for hen egg lysozyme. Several residues, includingthose involved in the ArgGlu salt bridges that have beenproposed to be important in antibody-antigen binding, had pKavalues that were changed significantly upon binding. The maintitration event upon antibody-antigen binding appears to beloss of a proton from residue GluH50 of the Fv molecule. Thelimitations of our calculation methods and the role they mightplay in the design of antibodies for use in assays, sensorsand separations are discussed 相似文献
84.
Variable temperature13C MAS NMR spectra are reported for13CO-enriched KFe2Mn(CO)12 as a solid and also as dispersed clusters on a carbon support. The spectrum of KFe2Mn(CO)12 at 300 K agrees with the proposed structure for this cluster and shows that the cluster is static. Two bridging carbonyl resonances are clearly resolved and, by comparison with13C MAS NMR spectra of Mn2(CO)10 and Fe2(CO)9, all terminal resonances for the cluster can be assigned. When the cluster is supported on carbon, two broad resonances are observed at room temperature which are assignable to KFe2Mn(CO)12 and a decomposition product, Mn2(CO)10. The carbonyl ligands in both supported clusters are completely averaged, and KFe2Mn(CO)12 on the carbon surface demonstrates fluxional behavior similar to that observed for the cluster in solution. For this fluxional process, activation energies of 0.6 kcal/mol and 0.5 kcal/mol are estimated for carbon-supported KFe2Mn(CO)12 and Mn2(CO)10, respectively. 相似文献
85.
The viewing of video increasingly occurs in a wide range of public and private environments via a range of static and mobile devices. The proliferation of content on demand and the diversity of the viewing situations means that delivery systems can play a key role in introducing audiences to contextually relevant content of interest whilst maximising the viewing experience for individual viewers. However, for video delivery systems to do this, they need to take into account the diversity of the situations where video is consumed, and the differing viewing experiences that users desire to create within them. This requires an ability to identify different contextual viewing situations as perceived by users. This paper presents the results from a detailed, multi-method, user-centred field study with 11 UK-based users of video-based content. Following a review of the literature (to identify viewing situations of interest on which to focus), data collection was conducted comprising observation, diaries, interviews and self-captured video. Insights were gained into whether and how users choose to engage with content in different public and private spaces. The results identified and validated a set of contextual cues that characterise distinctive viewing situations. Four archetypical viewing situations were identified: ‘quality time’, ‘opportunistic planning’, ‘sharing space but not content’ and ‘opportunistic self-indulgence’. These can be differentiated in terms of key contextual factors: solitary/shared experiences, public/private spaces and temporal characteristics. The presence of clear contextual cues provides the opportunity for video delivery systems to better tailor content and format to the viewing situation or additionally augment video services through social media in order to provide specific experiences sensitive to both temporal and physical contexts. 相似文献
86.
Sowdhamini R; Mitchell TJ; Andrew PW; Morgan PJ 《Protein engineering, design & selection : PEDS》1997,10(3):207-215
Pneumolysin and proaerolysin are bacterial toxins that form pores in host
cells by oligomerization. We propose that they may have similar structures
despite a poor sequence identity. The crystal structure of proaerolysin
reveals a protein composed of four domains, arranged in the shape of an
elongated comma. Electron microscopy of the pneumolysin monomer shows a
similar arrangement of domains. The sequence of pneumolysin recognizes the
template of proaerolysin from a library of protein folds. A
three-dimensional model of pneumolysin has been constructed by the
comparative approach using the structure of proaerolysin. This model,
together with results on the activity of site- specific mutants and the
positions of antigenic sites, has been used to propose functional roles of
individual domains.
相似文献
87.
The surface and mechanical properties of copolymers of hydroxyalkyl acrylates and methacrylates have been examined by a variety of techniques. This work is complementary to earlier parts of this series which describe the effect of copolymer structure on water binding properties. Water structure has been demonstrated to exert a profound effect upon mechanical properties whether measured in compression or in tension. In particular, water that is characterized by differential scanning calorimetry as ‘freezing’ water is observed to have a marked plasticizing effect upon the gel, whereas ‘non-freezing’ water has little such effect. Similarly, the ‘freezing’ water produces a more marked effect on thermally induced transitions. Two distinct transition points are observed as a result of its presence. One corresponds to the freezing point of water and the other to a glass transition temperature, whose value depends upon the proportion of ‘freezing’ or ‘plasticizing’ water in the gel. Several predictive and direct measurement techniques have been used to study the surface properties of the copolymers in both hydrated and dehydrated states. Taken together they have established a sound understanding of the way in which polar and dispersive components of surface free energy vary as a function of copolymer composition and water content. Use of protein adsorption and fibroblast cell interaction techniques demonstrate that biological phenomena respond to changes at a molecular level which current macroscopic surface energy techniques are unable to discern. 相似文献
88.
The antioxidant vitamin E, -tocopherol, was tested as a candidate elicitor of alterable antiherbivory in soybean plants against cabbage looper larvae. Although a nonspecific antioxidant, vitamin E proved elicitory to the involved sulfhydryl-dependent receptor-energy transducer protein in soybean plasma membrane. Effects of -tocopherol were dependent on dosage, time, and space in the plant. The observed elicited effects were all decreases in herbivory. The best negative phytochemical correlate of looper feeding was the percentage of increased total HPLC peak area of extractables from elicited as compared to nonelicited leaves. Some specific compounds, e.g., glyceollins, were quantitatively major components of the total profile of secondary metabolites. 相似文献
89.
Lactate dehydrogenase from Bacillus stearothermophilus is specific for NAD+. There have been several attempts to alter the cofactor specificity of this enzyme, but these have yielded enzymes with relatively low activities that still largely prefer NAD+. A modified consensus approach was used to create a library of phylogenetically preferred amino acids situated near the cofactor binding site, and variants were screened for their ability to utilize NMN+. A triple mutant (Mut31) was discovered that proved to be more catalytically efficient than wild-type. Mut31 was also better at utilizing NAD+ than the wild-type enzyme and was weakly active with NADP+ and NMN+. An analysis of single amino acid substitutions suggested that all three mutations worked in a concerted fashion to yield robust cofactor utilization. When two previously identified amino acid substitutions were introduced into the Mut31 background, the resultant quintuply substituted enzyme not only utilized NADP+ far better than the wild-type enzyme, it actually inverted its preference for NAD+ and NADP+. 相似文献
90.
Bottomley Stephen P.; Popplewell Andrew G.; Scawen Michael; Wan Tommy; Sutton Brian J.; Gore Michael G. 《Protein engineering, design & selection : PEDS》1994,7(12):1463-1470
The stability and unfolding of an immunoglobulin (Ig) G bindingprotein based upon the B domain of protein A (SpAB) from Staphylococcusaureus were studied by substituting tryptophan residues at strategiclocations within each of the three a-helical regions (al-a3)of the domain. The role of the C-terminal helix, a3, was investigatedby generating two protein constructs, one corresponding to thecomplete SpAB, the other lacking a part of ct3; the Trp substitutionswere made in both one-and two-domain versions of each of theseconstructs. The fluorescence properties of each of the single-tryptophanmutants were studied in the native state and as a function ofguanidine-HCl-mediated unfolding, and their IgG binding activitieswere determined by a competitive enzyme-linked immunosorbentassay. The free energies of folding and of binding to IgG foreach mutant were compared with those for the native domains.The effect of each substitution upon the overall structure andupon the IgG binding interface was modelled by molecular graphicsand energy minimization. These studies indicate that (i) 3 contributesto the overall stability of the domain and to the formationof the IgG binding site in l and 2, and (ii) al unfolds first,followed by 2 and 3 together. 相似文献