Computer Aided Drug Design and Molecular Modelling Lab, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India.
Computer Aided Drug Design and Molecular Modelling Lab, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India.
Adv Protein Chem Struct Biol. 2022;130:59-83. doi: 10.1016/bs.apcsb.2022.02.002. Epub 2022 Mar 14.
Enzymes, which are biological molecules, are constructed from polypeptide chains, and these molecules are activated through reaction mechanisms. It is the role of enzymes to speed up chemical reactions that are used to build or break down cell structures. Activation energy is reduced by the enzymes' selective binding of substrates in a protected environment. In enzyme tertiary structures, the active sites are commonly situated in a "cleft," which necessitates the diffusion of substrates and products. The amino acid residues of the active site may be far apart in the primary structure owing to the folding required for tertiary structure. Due to their critical role in substrate binding and attraction, changes in amino acid structure at or near the enzyme's active site usually alter enzyme activity. At the enzyme's active site, or where the chemical reactions occur, the substrate is bound. Enzyme substrates are the primary targets of the enzyme's active site, which is designed to assist in the chemical reaction. This chapter elucidates the summary of structure and chemistry of enzymes, their active site features, charges and role of water in the structures to clarify the biochemistry of the enzymes in the depth of atomic features.
酶是生物分子，由多肽链构成，这些分子通过反应机制被激活。酶的作用是加速用于构建或分解细胞结构的化学反应。酶通过选择性地将底物结合在保护环境中，降低了活化能。在酶的三级结构中，活性位点通常位于“裂缝”中，这需要底物和产物的扩散。由于三级结构所需的折叠，活性位点的氨基酸残基在一级结构中可能相距很远。由于其在底物结合和吸引中的关键作用，酶活性位点附近或附近的氨基酸结构的变化通常会改变酶的活性。在酶的活性位点，或发生化学反应的地方，底物被结合。酶的底物是酶的活性位点的主要靶标，该活性位点旨在协助化学反应。本章阐述了酶的结构和化学、活性位点特征、电荷以及结构中水的作用的概述，以阐明酶的生物化学在原子特征的深度。
