Something interesting about 135236-72-5

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Research speed reading in 2021. Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 135236-72-5, Name is Calcium 3-hydroxy-3-methylbutanoate, SMILES is CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O.[Ca+2], in an article , author is Zheng, L, once mentioned of 135236-72-5, Computed Properties of https://www.ambeed.com/products/135236-72-5.html.

Antibody 16E7 catalyzes the carbon protonation of enol ether 2 to hemiacetal 3, and the carbon deprotonation of benzisoxazole 7 to phenol 8. This antibody shows an extreme case of hysteresis, requiring several hours to reach full activity. Antibody 16E7 was expressed as recombinant chimeric Fab in Escherichia coli. A model for the three-dimensional structure was produced by homology modeling and used for a docking procedure to obtain models for antibody-ligand complexes. Site-direct mutagenesis of Glu(L39), identified as a possible catalytic residue by the model, to either glutamine or alanine abolished catalysis, showing that both the protonation reaction of enol ether 2 and the deprotonation of benzisoxazole 7 are promoted by the same residue. The model furthermore suggested that substrate access to the catalytic site might be hindered by a flexible HCDR3 loop held in closed position by a hydrogen bond between Ser(H99) and Glu(L39), which could explain the observed hysteresis effect. In agreement with this model, mutagenesis of Ser(H99) to alanine, or deletion of this residue, was found to reduce hysteresis by approximately 50%. (C) 2004 Elsevier Ltd. All rights reserved.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics