Residual effective core potentials

Glycosydation AChE and BChE carry 3 and 9, respectively, N-glycosylation consensus sequences attaching carbohydrate residues to the core protein via asparagines. Different molecular forms of the enzymes in various tissues, show different number and composition of carbohydrate residues. N-glycosylation at all sites was shown to be important for effective biosynthesis, secretion and clearance of ChEs from the circulation. Altered patterns of AChE glycosylation have been observed in the brain and cerebrospinal fluid of Alzheimer s disease (AD) patients, with potential diagnostic value. 

Conventional shape-consistent effective potentials (67-70), whether relativistic or not, are typically formulated as expansions of local potentials, U (r), multiplied by angular projection cperators. The expansions are tnmcated after the lowest angular function not contained in the core. The last (residual) term in the expansion typically represents little more than the simple ooulombic interaction between a valence electron and the core (electrons and corresponding fraction of the nuclear charge) and is predominantly attractive. The lower A terms, on the other hand., include strongly... 

The major drawback for plant-derived complex biopharmaceuticals is that the plant-specific xylosyl and fucosyl residues are attached to the core structure of N-gly-cans. Although Ghargelegue et al. [62] observed no immunogenic effects of a plant-derived murine monoclonal antibody in an animal study based on a mouse model, both residues are described in the Htera-ture as structures with high immunogenic potential [8, 9]. 

Examples of long range C -C interaction potentials between centroids of specific residue pairs obtained with the above implementation are given in Figure 3. These potentials were derived from statistics compiled on all residues ( All ), on buried residues ( Core ) and on solvent-accessible residues ( Surface ), respectively. They illustrate well the fact that these potentials are dominated by bulk hydrophobic effects. One can see that neither the Core , nor the All potential of the Lys-Asp pair of oppositely charged residues display the expected Coulomb-like behavior. These residues prefer to interact with the solvent, and therefore their propensity to interact with each other, either in the core or overall, is lower than that of other residues, many of which are hydrophobic. The attractive behavior of the Lys-Asp pair is. however, recovered on the surface, where their propensity to interact is higher than... 

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