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相关概念视频

Allosteric Proteins-ATCase01:19

Allosteric Proteins-ATCase

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Binding sites linkages can regulate a protein's function.  For example, enzyme activity is often regulated through a feedback mechanism where the end product of the biochemical process serves as an inhibitor.
Aspartate transcarbamoylase (ATCase) is a cytosolic enzyme that catalyzes the condensation of L-aspartate and carbamoyl phosphate to  N-carbamoyl-L-aspartate. This reaction is the first step in pyrimidine biosynthesis. UTP and CTP, the end products of the pyrimidine synthesis...
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The turnover number of an enzyme is the maximum number of substrate molecules it can transform per unit time. Turnover numbers for most enzymes range from 1 to 1000 molecules per second. Catalase has the known highest turnover number, capable of converting up to 2.8×106 molecules of hydrogen peroxide into water and oxygen per second. Lysozyme has the lowest known turnover number of half a molecule per second.
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Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
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The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.
 
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Proteins can undergo many types of post-translational modifications, often in response to changes in their environment. These modifications play an important role in the function and stability of these proteins. Covalently linked molecules include functional groups, such as methyl, acetyl, and phosphate groups, and also small proteins, such as ubiquitin. There are around 200 different types of covalent regulators that have been identified.
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对于UGTs的有效计算策略 催化函数预测

Nianhang Chen1, Zhennan Jiang2, Zhekai Xie1

  • 1School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.

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概括
此摘要是机器生成的。

糖转移酶 (UGTs) 是天然产品合成的关键. 一种新的计算方法准确地预测了UGT功能和基质特异性,区分了类似的三烯酸和类固醇氨酸.

关键词:
欧洲经济机制2 (ESM2)N-终端域域名是一个N-终端域名.在PCA中,PCA是PCA.葡萄糖转移酶的作用是什么分子模拟分子模拟基质特异性 基质特异性

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科学领域:

  • 生物化学 生化学
  • 结构生物学 结构生物学
  • 计算生物学 计算生物学

背景情况:

  • 葡萄糖转移酶 (GTs) 是合成药理活性天然产品 (如沙素) 的重要酶.
  • 在GT-B家族酶中区分基质特异性,特别是在结构相似的三类和类固醇沙因中,是具有挑战性的.
  • 了解酶机制和基质相互作用对于药物发现和酶工程至关重要.

研究的目的:

  • 阐明基质运输机制和N终端域 (NTD) 在GT-B糖转移酶中的作用.
  • 开发一种计算方法来分类植物性UGT并预测它们的基质特异性.
  • 区分作用于结构相似的三基和类固醇基质的UGT.

主要方法:

  • 在PpUGT73CR1.1.中进行分子动力学模拟以揭示基质运输道和机制.
  • 在44种植物性UGT中分析结合性口袋残留物.
  • 使用ESM2蛋白模型特征和PCA集群的基于快速序列的分类方法的开发.
  • 计算预测的实验验证.

主要成果:

  • 为GT-B酶提出了一个合理的基质运输机制,涉及NTD调节.
  • 对于固醇UGTs,在活性部位残留物中发现了明显的模式.
  • 基于序列的方法准确地分类了UGT和差异化基质特异性,即使对于密切相关的化合物.
  • 计算预测通过实验测试成功验证.

结论:

  • 这项研究为GT-B酶基质结合和运输机制提供了新的见解.
  • 已经开发出一种计算效率高,准确的方法来预测UGT函数和基质特异性.
  • 这项工作为未知的UGT的功能注释提供了宝贵的工具,并有助于发现新型天然产品.