通过分子模拟解读BPTF与核体相互作用的分子机制
Ryan Hebert1,2, Jeff Wereszczynski3,2
1Department of Physics, Illinois Institute of Technology, Chicago, USA.
bioRxiv : the preprint server for biology
|July 15, 2025
概括
含有体和PHD指的转录因子 (BPTF) 在结合时改变了核体结构. 核素组的参与导致BPTF的紧缩,并破坏了基因组-DNA相互作用的稳定性,可能有助于染色体重塑.
科学领域:
- 分子生物学分子生物学
- 染色体生物学 染色体生物学
- 结构生物学 结构生物学
背景情况:
- 转录因子通过与基因组修饰相互作用来调节DNA可访问性和基因表达.
- 使用基因尾的体外研究可能无法完全捕捉体内核细胞相互作用.
研究的目的:
- 为了研究BPTF的PHD手指和odomain的结合动态.
- 用分子动力学模拟来比较BPTF与基因酸的结合与一个完整的核体.
主要方法:
- 分子动力学模拟.分子动力学模拟.
- 蛋白质核酶相互作用的分析.
- 对形状变化和结合动态的评估.
主要成果:
- 根据其结合环境,BPTF采用不同的构造;核细胞结合会诱导结构紧缩.
- 结合H3尾部的BPTF将其从DNA中移除,从而增加H3尾部的灵活性.
- 基因组-DNA接触被重新分配,削弱了整体的键,并暗示了核子体的不稳定,而范德瓦尔斯相互作用稳定了BPTF结合.
结论:
- 与核体结合的BPTF诱导了显著的结构变化.
- 这项研究提供了对BPTF如何调节核素体结构的原子学见解.
- 这些发现表明BPTF可能促进染色体重塑的机制.
更多相关视频
09:17Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
Published on: March 1, 2022
3.3K
07:41Sequential Salt Extractions for the Analysis of Bulk Chromatin Binding Properties of Chromatin Modifying Complexes
Published on: October 2, 2017
8.5K
相关概念视频
Nucleosome Remodeling
9.5K
Nucleosomes are the basic units of chromatin compaction. Each nucleosome consists of the DNA bound tightly around a histone core, which makes the DNA inaccessible to DNA binding proteins such as DNA polymerase and RNA polymerase. Hence, the fundamental problem is to ensure access to DNA when appropriate, despite the compact and protective chromatin structure.
Nucleosome remodeling complex
Eukaryotic cells have specialized enzymes called ATP-dependent nucleosome remodeling enzymes. These enzymes...
Nucleosome remodeling complex
Eukaryotic cells have specialized enzymes called ATP-dependent nucleosome remodeling enzymes. These enzymes...
9.5K
Covalently Linked Protein Regulators
7.3K
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.
These groups modify specific amino acids in a protein....
These groups modify specific amino acids in a protein....
7.3K
The Nucleosome Core Particle
12.6K
Nucleosomes are the DNA-histone complex, where the DNA strand is wound around the histone core. The histone core is an octamer containing two copies of H2A, H2B, H3, and H4 histone proteins.
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...
12.6K
