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结构域交换:一种用于定量评估结构效应的数学模型。

Domain swapping: a mathematical model for quantitative assessment of structural effects.

作者信息

Roterman Irena, Stapor Katarzyna, Dułak Dawid, Konieczny Leszek

机构信息

Department of Bioinformatics and Telemedicine, Jagiellonian University - Medical College, Krakow, Poland.

Department of Applied Informatics, Silesian University of Technology, Gliwice, Poland.

出版信息

FEBS Open Bio. 2024 Dec;14(12):2006-2025. doi: 10.1002/2211-5463.13911. Epub 2024 Oct 6.

DOI:10.1002/2211-5463.13911
PMID:39370305
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11609593/
Abstract

The domain-swapping mechanism involves the exchange of structural elements within a secondary or supersecondary structure between two (or more) proteins. The present paper proposes to interpret the domain-swapping mechanism using a model that assesses the structure of proteins (and complexes) based on building the structure of a common hydrophobic core in a micelle-like arrangement (a central hydrophobic core with a polar shell in contact with polar water), which has a considerable impact on the stabilisation of the domain structure built by domain swapping. Domains with a hydrophobicity system that is incompatible with the micelle-like structure have also been identified. This incompatibility is the form of structural codes related to biological function.

摘要

结构域交换机制涉及两个(或更多)蛋白质二级或超二级结构内结构元件的交换。本文提出使用一种模型来解释结构域交换机制,该模型基于在类似胶束的排列方式(一个中心疏水核心,其极性外壳与极性水接触)中构建共同疏水核心的结构来评估蛋白质(和复合物)的结构,这对通过结构域交换构建的结构域结构的稳定有相当大的影响。也已鉴定出具有与类似胶束结构不相容的疏水系统的结构域。这种不相容性是与生物学功能相关的结构编码形式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/ca6aa6a86fdf/FEB4-14-2006-g012.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/46ece4728c04/FEB4-14-2006-g016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/f029f27a0abf/FEB4-14-2006-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/5b921947c0ef/FEB4-14-2006-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/ca6aa6a86fdf/FEB4-14-2006-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/20295efa9235/FEB4-14-2006-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/8cb6a6ce9aa8/FEB4-14-2006-g010.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/3c3e96882eeb/FEB4-14-2006-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/ef17f261929e/FEB4-14-2006-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/39a879790ebd/FEB4-14-2006-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/4a5e80c736cd/FEB4-14-2006-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/e2d3357eebd5/FEB4-14-2006-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/076dde4f5a60/FEB4-14-2006-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/c98860011496/FEB4-14-2006-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/4e3c196a8aeb/FEB4-14-2006-g017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/d45d8aabe2d8/FEB4-14-2006-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/46ece4728c04/FEB4-14-2006-g016.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/5b921947c0ef/FEB4-14-2006-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3421/11609593/ca6aa6a86fdf/FEB4-14-2006-g012.jpg

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