Mechanistic domain

Before we can enter a discussion of the redox processes involved in the two mechanisms defined above, we need a simple theoretical background which provides relevant insights into the phenomenon of ET. The Marcus theory of outer-sphere ET provides such a framework for the delineation of mechanistic domains, thanks to its origin in a simple model and its classical nature (Marcus, 1964 Marcus and Sutin, 1985 for applications in organic chemistry, see Eberson, 1982b, 1987). 

Additional consideration of other components of the QSAR AD, such as the physico-chemical domain, descriptor domain," mechanistic domain and metabolic domain (when possible) would allow even more improved confidence levels in predictive model applications. 

Chemistry-Linked-to-Toxicity Structural Alerts and Mechanistic Domains... 

There is currently debate on the best methods to define the applicability domain for a model in predictive toxicology. The ultimate solution is likely to be lacking for a number of years. However, there are some initiatives that are beginning to address the issue of applicability domain, which include the use of statistical measures and also mechanistic appreciation. 

Combining structural and biochemical information, MacLennan and his colleagues [8,11,42,45,48,87] constructed a hypothetical model of the tertiary structure of Ca " -ATPase that has interesting mechanistic implications (Fig. 2). The structure was divided into three major parts, designated as the cytoplasmic headpiece, the stalk domain and the transmembrane domain each was assigned distinct functional... 

We expect the development of the mechanistic aspects of organic photochemistry to continue at the present pace as new methods are developed to probe in increasing detail and shorter time scales the photochemical dynamics of both old and new photoreactions. Since photochemistry is no longer the sole domain of the specialist, it is relatively safe to predict a dramatic increase in the near future of the synthetic and industrial uses of organic photochemistry. 

UbclO is required for the biogenesis of the peroxisome, an oxidative organelle [75]. This E2 plays a role in peroxisomal protein import [76] and is recruited to the peroxisomal membrane through an interaction with a partner protein [77]. Membrane-localized UbclO also seems to be spatially proximal to PexlO, which has a RING-like domain [78]. Whether PexlO is a cognate E3 of UbclO remains to be determined, as does the mechanistic role of ubiquitin conjugation in peroxisome biogenesis. 

To understand the inhibition of a-amylase by peptide inhibitors it is crucial to first understand the native substrate-enzyme interaction. The active site and the reaction mechanism of a-amylases have been identified from several X-ray structures of human and pig pancreatic amylases in complex with carbohydrate-based inhibitors. The structural aspects of proteinaceous a-amylase inhibition have been reviewed by Payan. The sequence, architecture, and structure of a-amylases from mammals and insects are fairly homologous and mechanistic insights from mammalian enzymes can be used to elucidate inhibitor function with respect to insect enzymes. The architecture of a-amylases comprises three domains. Domain A contains the residues responsible for catalytic activity. It complexes a calcium ion, which is essential to maintain the active structure of the enzyme and the presence of a chloride ion close to the active site is required for activation. 

Structure and Function of Peptidyl Carrier Protein Domains Structure and Function of Adenylation Domains Structure and Function of Condensation Domains Structure and Function of Thioesterase Domains Multidomain NRPS Structural Information PCP-C didomain structure PCP-TE didomain structure Structure of a C-A-PCP-TE termination module Pathways to Nonproteinogenic Amino Acids Incorporated into NRP Natural Nonproteinogenic Amino Acids Present as Cellular Metabolites Modification of Proteinogenic Amino Acids Nonproteinogenic Amino Acids Derived from Multistep Pathways Tailoring Enzymology in NRP Natural Products Chemical Approaches Toward Mechanistic Probes and Inhibitors of NRPS... 

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