Morton, Andrew; Baase, Walter A.; Matthews, Brian W. published the article 《Energetic origins of specificity of ligand binding in an interior nonpolar cavity of T4 lysozyme》. Keywords: lysozyme ligand binding mechanism thermodn.They researched the compound: 1,2-Benzisoxazole( cas:271-95-4 ).Application of 271-95-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:271-95-4) here.
To determine the constraints on interactions within the core of a folded protein, the binding of 91 different compounds to an internal cavity created in the interior of phage T4 lysozyme was analyzed by site-directed mutagenesis. The cavity is able to accommodate a variety of small, mainly nonpolar, ligands. Mols. which do not appear to bind include those that are very polar, those that are too large, and those that have appropriate volume and polarity but inappropriate shape. Calorimetric anal. of 16 of these ligands reveals that their free energies of binding are poorly correlated with their solvent-transfer free energies. In addition, their enthalpies of binding are much larger than expected on the basis of transfer of the ligands from an aqueous to a nonpolar liquid phase. The binding energetics were analyzed by dividing the reaction into 3 processes: desolvation, immobilization, and packing. This anal. indicates that all 3 processes contribute to binding specificity. For a subset of these ligands that are structurally related, however, packing interactions in the protein interior are well modeled by the interactions of the ligands with octanol.
In addition to the literature in the link below, there is a lot of literature about this compound(1,2-Benzisoxazole)Application of 271-95-4, illustrating the importance and wide applicability of this compound(271-95-4).
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Highly efficient and robust molecular ruthenium catalysts for water oxidation,
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