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Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning

An increasing number of density maps of macromolecular structures, including proteins and DNA/RNA complexes, have been determined by cryo-electron microscopy (cryo-EM). Although lately maps at a near-atomic resolution are routinely reported, there are still substantial fractions of maps determined a...

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Autores principales: Wang, Xiao, Alnabati, Eman, Aderinwale, Tunde W., Maddhuri Venkata Subramaniya, Sai Raghavendra, Terashi, Genki, Kihara, Daisuke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8052361/
https://www.ncbi.nlm.nih.gov/pubmed/33863902
http://dx.doi.org/10.1038/s41467-021-22577-3
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author Wang, Xiao
Alnabati, Eman
Aderinwale, Tunde W.
Maddhuri Venkata Subramaniya, Sai Raghavendra
Terashi, Genki
Kihara, Daisuke
author_facet Wang, Xiao
Alnabati, Eman
Aderinwale, Tunde W.
Maddhuri Venkata Subramaniya, Sai Raghavendra
Terashi, Genki
Kihara, Daisuke
author_sort Wang, Xiao
collection PubMed
description An increasing number of density maps of macromolecular structures, including proteins and DNA/RNA complexes, have been determined by cryo-electron microscopy (cryo-EM). Although lately maps at a near-atomic resolution are routinely reported, there are still substantial fractions of maps determined at intermediate or low resolutions, where extracting structure information is not trivial. Here, we report a new computational method, Emap2sec+, which identifies DNA or RNA as well as the secondary structures of proteins in cryo-EM maps of 5 to 10 Å resolution. Emap2sec+ employs the deep Residual convolutional neural network. Emap2sec+ assigns structural labels with associated probabilities at each voxel in a cryo-EM map, which will help structure modeling in an EM map. Emap2sec+ showed stable and high assignment accuracy for nucleotides in low resolution maps and improved performance for protein secondary structure assignments than its earlier version when tested on simulated and experimental maps.
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spelling pubmed-80523612021-05-11 Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning Wang, Xiao Alnabati, Eman Aderinwale, Tunde W. Maddhuri Venkata Subramaniya, Sai Raghavendra Terashi, Genki Kihara, Daisuke Nat Commun Article An increasing number of density maps of macromolecular structures, including proteins and DNA/RNA complexes, have been determined by cryo-electron microscopy (cryo-EM). Although lately maps at a near-atomic resolution are routinely reported, there are still substantial fractions of maps determined at intermediate or low resolutions, where extracting structure information is not trivial. Here, we report a new computational method, Emap2sec+, which identifies DNA or RNA as well as the secondary structures of proteins in cryo-EM maps of 5 to 10 Å resolution. Emap2sec+ employs the deep Residual convolutional neural network. Emap2sec+ assigns structural labels with associated probabilities at each voxel in a cryo-EM map, which will help structure modeling in an EM map. Emap2sec+ showed stable and high assignment accuracy for nucleotides in low resolution maps and improved performance for protein secondary structure assignments than its earlier version when tested on simulated and experimental maps. Nature Publishing Group UK 2021-04-16 /pmc/articles/PMC8052361/ /pubmed/33863902 http://dx.doi.org/10.1038/s41467-021-22577-3 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Wang, Xiao
Alnabati, Eman
Aderinwale, Tunde W.
Maddhuri Venkata Subramaniya, Sai Raghavendra
Terashi, Genki
Kihara, Daisuke
Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title_full Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title_fullStr Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title_full_unstemmed Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title_short Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
title_sort detecting protein and dna/rna structures in cryo-em maps of intermediate resolution using deep learning
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8052361/
https://www.ncbi.nlm.nih.gov/pubmed/33863902
http://dx.doi.org/10.1038/s41467-021-22577-3
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