{"title":"内在无序蛋白内基于电荷的瞬时相互作用的结构和功能相关性。","authors":"Samuel Wohl*, Yishai Gilron and Wenwei Zheng*, ","doi":"10.1021/acsphyschemau.5c00005","DOIUrl":null,"url":null,"abstract":"<p >Intrinsically disordered proteins (IDPs) perform diverse biological functions without adopting stable folded structures, instead existing as dynamic ensembles of flexible conformations. While these conformations were traditionally attributed to weak, nonspecific interactions, emerging evidence emphasizes the role of transient, specific interactions. Here, we investigate how charged amino acids within IDP sequences influence the prevalence of these interactions. Using model peptides, we establish an empirical relationship between the fraction of transient interactions and a novel sequence metric, the effective charge patch length. Extending this analysis to IDP ensembles with varying levels of transient interactions, we uncover heteropolymeric structural behaviors, including network formation in phase-separated condensates. A large-scale analysis reveals that approximately 20% of disordered regions in the human proteome exhibit charge-driven transient interactions, contributing to heteropolymeric conformational ensembles. Finally, we explore the functional enrichment of these interactions, underscoring their potential role in mediating diverse biological processes.</p>","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 4","pages":"356–366"},"PeriodicalIF":4.3000,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12291128/pdf/","citationCount":"0","resultStr":"{\"title\":\"Structural and Functional Relevance of Charge-Based Transient Interactions inside Intrinsically Disordered Proteins\",\"authors\":\"Samuel Wohl*, Yishai Gilron and Wenwei Zheng*, \",\"doi\":\"10.1021/acsphyschemau.5c00005\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Intrinsically disordered proteins (IDPs) perform diverse biological functions without adopting stable folded structures, instead existing as dynamic ensembles of flexible conformations. While these conformations were traditionally attributed to weak, nonspecific interactions, emerging evidence emphasizes the role of transient, specific interactions. Here, we investigate how charged amino acids within IDP sequences influence the prevalence of these interactions. Using model peptides, we establish an empirical relationship between the fraction of transient interactions and a novel sequence metric, the effective charge patch length. Extending this analysis to IDP ensembles with varying levels of transient interactions, we uncover heteropolymeric structural behaviors, including network formation in phase-separated condensates. A large-scale analysis reveals that approximately 20% of disordered regions in the human proteome exhibit charge-driven transient interactions, contributing to heteropolymeric conformational ensembles. Finally, we explore the functional enrichment of these interactions, underscoring their potential role in mediating diverse biological processes.</p>\",\"PeriodicalId\":29796,\"journal\":{\"name\":\"ACS Physical Chemistry Au\",\"volume\":\"5 4\",\"pages\":\"356–366\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-04-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12291128/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Physical Chemistry Au\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsphyschemau.5c00005\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Physical Chemistry Au","FirstCategoryId":"1085","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsphyschemau.5c00005","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Structural and Functional Relevance of Charge-Based Transient Interactions inside Intrinsically Disordered Proteins
Intrinsically disordered proteins (IDPs) perform diverse biological functions without adopting stable folded structures, instead existing as dynamic ensembles of flexible conformations. While these conformations were traditionally attributed to weak, nonspecific interactions, emerging evidence emphasizes the role of transient, specific interactions. Here, we investigate how charged amino acids within IDP sequences influence the prevalence of these interactions. Using model peptides, we establish an empirical relationship between the fraction of transient interactions and a novel sequence metric, the effective charge patch length. Extending this analysis to IDP ensembles with varying levels of transient interactions, we uncover heteropolymeric structural behaviors, including network formation in phase-separated condensates. A large-scale analysis reveals that approximately 20% of disordered regions in the human proteome exhibit charge-driven transient interactions, contributing to heteropolymeric conformational ensembles. Finally, we explore the functional enrichment of these interactions, underscoring their potential role in mediating diverse biological processes.
期刊介绍:
ACS Physical Chemistry Au is an open access journal which publishes original fundamental and applied research on all aspects of physical chemistry. The journal publishes new and original experimental computational and theoretical research of interest to physical chemists biophysical chemists chemical physicists physicists material scientists and engineers. An essential criterion for acceptance is that the manuscript provides new physical insight or develops new tools and methods of general interest. Some major topical areas include:Molecules Clusters and Aerosols; Biophysics Biomaterials Liquids and Soft Matter; Energy Materials and Catalysis