使用蛋白质语言模型准确预测核酸结合蛋白质
Siwen Wu1, Jinbo Xu2, Jun-Tao Guo1
1Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, Charlotte, NC 28223, United States.
Bioinformatics advances
|February 24, 2025
概括
我们使用蛋白质语言模型特征开发了先进的机器学习模型,以准确预测核酸结合蛋白 (NABPs),包括研究不足的单链DNA结合蛋白 (SSBs). 这提高了对具有未知功能的蛋白质的功能注释.
科学领域:
- 生物化学 生物化学
- 生物信息学是一种生物信息学.
- 计算生物学 计算生物学
背景情况:
- 核酸结合蛋白 (NABPs) 对于许多生物过程至关重要.
- 现有的NABP预测机器学习方法在数据集范围,特征选择和预测具有未知功能的蛋白质方面存在局限性.
- 单链DNA结合蛋白 (SSBs) 在功能预测方面仍未得到充分研究.
研究的目的:
- 提高对具有未知功能的蛋白质预测各种NABP类型的准确性和范围.
- 开发新的预测模型,利用蛋白质语言模型的高级功能.
- 专门改进单链DNA结合蛋白 (SSB) 的识别.
主要方法:
- 开发了层次和多类机器学习模型.
- 利用了从蛋白质语言模型ESM2.2中提取的特性.
- 在NABP分类的综合数据集上训练并测试模型.
主要成果:
- 实现了高预测准确度,在等级模型的每个阶段高达95%.
- 使用多类方法实现了85%的整体预测准确度.
- 成功改善了各种NABP类型的预测,在识别SSB方面取得了显著的改进.
结论:
- 通过将ESM2功能与机器学习集成,可以显著提高NABP预测准确度.
- 开发的模型为蛋白质的功能注释提供了一个强大的工具,特别是对于SSB等未经探索的类别.
- 该研究为NABP预测的进一步研究提供了宝贵的资源 (数据集和代码).
相关概念视频
Protein-protein Interfaces
12.4K
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...
12.4K
Conserved Binding Sites
4.1K
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...
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...
4.1K
Ligand Binding Sites
12.7K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
12.7K
Protein Networks
3.9K
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,...
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,...
3.9K
Nucleic Acid Structure
5.9K
The pentose sugar in DNA is deoxyribose, while in RNA the pentose sugar is ribose. The difference between the sugars is the presence of the hydroxyl group on the ribose's second carbon and a hydrogen on the deoxyribose's second carbon. The phosphate residue attaches to the hydroxyl group of the 5′ carbon of one sugar and the hydroxyl group of the 3′ carbon of the sugar of the next nucleotide, which forms a 5′ to 3′ phosphodiester linkage.
DNA Structure
DNA...
DNA Structure
DNA...
5.9K
Protein Organization
6.2K
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence....
The primary structure of a protein is its amino acid sequence....
6.2K


