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相关概念视频

Induced-fit Model01:13

Induced-fit Model

Most chemical reactions in cells require enzymes—biological catalysts that speed up the reaction without being consumed or permanently changed. They reduce the activation energy needed to convert the reactants into products. Enzymes are proteins, that usually work by binding to a substrate—a reactant molecule that they act upon.
Enzymes exhibit substrate specificity, meaning that they can only bind to certain substrates. This is mainly determined by the shape and chemical characteristics of...
Enzyme Inhibition01:30

Enzyme Inhibition

Inhibitors are molecules that reduce enzyme activity by binding to the enzyme. In a normally functioning cell, enzymes are regulated by a variety of inhibitors. Drugs and other toxins can also inhibit enzymes. Some inhibitors bind to the enzyme’s active site, while others inhibit enzymatic activity by binding to other sites on the protein structure.
Enzymes02:34

Enzymes

Inside living organisms, enzymes act as catalysts for many biochemical reactions involved in cellular metabolism. The role of enzymes is to reduce the activation energies of biochemical reactions by forming complexes with its substrates. The lowering of activation energies favor an increase in the rates of biochemical reactions.
Enzyme deficiencies can often translate into life-threatening diseases. For example, a genetic abnormality resulting in the deficiency of the enzyme G6PD...
Protein-protein Interfaces02:04

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a polypeptide...
Conserved Binding Sites01:49

Conserved Binding Sites

Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally analyses the...
Protein Networks02:26

Protein Networks

An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...

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相关实验视频

Updated: Jul 10, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

基于结构的活性预测未知功能的酶.

Johannes C Hermann1, Ricardo Marti-Arbona, Alexander A Fedorov

  • 1Department of Pharmaceutical Chemistry, University of California, San Francisco, MC 2550 1700 4th Street, San Francisco, California 94158-2330, USA.

Nature
|July 3, 2007
PubMed
概括

预测蛋白质功能是一项挑战. 这项研究使用基于结构的代谢物对接来识别Tm0936酶的功能,揭示了一个新的S-adenosylhomocysteine降解途径.

科学领域:

  • 生物化学 生物化学
  • 结构生物学 结构生物学
  • 生物信息学是一种生物信息学.

背景情况:

  • 确定蛋白质功能至关重要,特别是对于缺乏已知酶同质性的蛋白质.
  • 目前的生物信息学方法在推断新型蛋白质的功能方面扎.
  • 直接询问蛋白质结构为功能预测提供了一个潜在的解决方案.

研究的目的:

  • 用基于结构的方法预测来自Thermotoga maritima的Tm0936酶的功能.
  • 为了确定Tm0936.3的候选基质和酶活性.
  • 为了阐明T. maritima.中以前未被描述的代谢途径.

主要方法:

  • 对抗Tm0936酶的成千上万种候选代谢物的高能中间形式的基于结构的对接.
  • 预测基质的实验验证,包括动力测试.
  • 进行X射线晶体学以确定酶基质复合物的结构.

主要成果:

  • 对接分析预测Tm0936可催化腺素类型的C6脱胺.
  • 包括S-adenosylhomocysteine (SAH) 在内的四种测试过的腺素类似物显示出显著的催化活性 (速率常数高达10^5 M^-1 s^-1).
  • 与SAH去胺产物S-inosylhomocysteine结合的Tm0936的晶体结构证实了预测的结合模式和催化机制.

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Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
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Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
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Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

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相关实验视频

Last Updated: Jul 10, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
06:50

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

Published on: January 26, 2024

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
05:08

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

Published on: July 8, 2025

结论:

  • 基于结构的对接与高能代谢物中间体是预测酶功能的有效方法.
  • 在Thermotoga maritima中,Tm0936作为一种新型S-adenosylhomocysteine降解途径中的酶.
  • 这种方法为注释酶和理解新测序基因组中的代谢途径提供了有价值的工具.