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Dynamic molecular portraits of ion-conducting pores characterize functional states of TRPV channels.

التفاصيل البيبلوغرافية
العنوان: Dynamic molecular portraits of ion-conducting pores characterize functional states of TRPV channels.
المؤلفون: Trofimov YA; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia., Krylov NA; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia., Minakov AS; M.V. Lomonosov Moscow State University, Moscow, Russia., Nadezhdin KD; Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY, USA., Neuberger A; Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY, USA., Sobolevsky AI; Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY, USA., Efremov RG; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia. efremov@nmr.ru.
المصدر: Communications chemistry [Commun Chem] 2024 Jun 01; Vol. 7 (1), pp. 119. Date of Electronic Publication: 2024 Jun 01.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Springer Nature Country of Publication: England NLM ID: 101725670 Publication Model: Electronic Cited Medium: Internet ISSN: 2399-3669 (Electronic) Linking ISSN: 23993669 NLM ISO Abbreviation: Commun Chem Subsets: PubMed not MEDLINE
أسماء مطبوعة: Original Publication: [London] : Springer Nature, [2018]-
مستخلص: Structural biology is solving an ever-increasing number of snapshots of ion channel conformational ensembles. Deciphering ion channel mechanisms, however, requires understanding the ensemble dynamics beyond the static structures. Here, we present a molecular modeling-based approach characterizing the ion channel structural intermediates, or their "dynamic molecular portraits", by assessing water and ion conductivity along with the detailed evaluation of pore hydrophobicity and residue packing. We illustrate the power of this approach by analyzing structures of few vanilloid-subfamily transient receptor potential (TRPV) channels. Based on the pore architecture, there are three major states that are common for TRPVs, which we call α-closed, π-closed, and π-open. We show that the pore hydrophobicity and residue packing for the open state is most favorable for the pore conductance. On the contrary, the α-closed state is the most hydrophobic and always non-conducting. Our approach can also be used for structural and functional classification of ion channels.
(© 2024. The Author(s).)
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معلومات مُعتمدة: 464295817 Deutsche Forschungsgemeinschaft (German Research Foundation); R01 NS107253 United States NS NINDS NIH HHS; 23-14-00313 Russian Science Foundation (RSF); R01 NS083660 United States NS NINDS NIH HHS; R01 AR078814 United States AR NIAMS NIH HHS; R01 CA206573 United States CA NCI NIH HHS
تواريخ الأحداث: Date Created: 20240601 Latest Revision: 20240604
رمز التحديث: 20240604
مُعرف محوري في PubMed: PMC11144267
DOI: 10.1038/s42004-024-01198-z
PMID: 38824263
قاعدة البيانات: MEDLINE
الوصف
تدمد:2399-3669
DOI:10.1038/s42004-024-01198-z