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Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals
BACKGROUND: Reef-building corals play an important role in the marine ecosystem, and analyzing their proteomes from a structural perspective will exert positive effects on exploring their biology. Here we integrated mass spectrometry with newly published ColabFold to obtain digital structural proteo...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9673494/ https://www.ncbi.nlm.nih.gov/pubmed/36399057 http://dx.doi.org/10.1093/gigascience/giac117 |
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author | Zhu, Yunchi Liao, Xin Han, Tingyu Chen, J-Y He, Chunpeng Lu, Zuhong |
author_facet | Zhu, Yunchi Liao, Xin Han, Tingyu Chen, J-Y He, Chunpeng Lu, Zuhong |
author_sort | Zhu, Yunchi |
collection | PubMed |
description | BACKGROUND: Reef-building corals play an important role in the marine ecosystem, and analyzing their proteomes from a structural perspective will exert positive effects on exploring their biology. Here we integrated mass spectrometry with newly published ColabFold to obtain digital structural proteomes of dominant reef-building corals. RESULTS: Of the 8,382 homologous proteins in Acropora muricata, Montipora foliosa, and Pocillopora verrucosa identified, 8,166 received predicted structures after about 4,060 GPU hours of computation. The resulting dataset covers 83.6% of residues with a confident prediction, while 25.9% have very high confidence. CONCLUSIONS: Our work provides insight-worthy predictions for coral research, confirms the reliability of ColabFold in practice, and is expected to be a reference case in the impending high-throughput era of structural proteomics. |
format | Online Article Text |
id | pubmed-9673494 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
spelling | pubmed-96734942022-11-21 Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals Zhu, Yunchi Liao, Xin Han, Tingyu Chen, J-Y He, Chunpeng Lu, Zuhong Gigascience Data Note BACKGROUND: Reef-building corals play an important role in the marine ecosystem, and analyzing their proteomes from a structural perspective will exert positive effects on exploring their biology. Here we integrated mass spectrometry with newly published ColabFold to obtain digital structural proteomes of dominant reef-building corals. RESULTS: Of the 8,382 homologous proteins in Acropora muricata, Montipora foliosa, and Pocillopora verrucosa identified, 8,166 received predicted structures after about 4,060 GPU hours of computation. The resulting dataset covers 83.6% of residues with a confident prediction, while 25.9% have very high confidence. CONCLUSIONS: Our work provides insight-worthy predictions for coral research, confirms the reliability of ColabFold in practice, and is expected to be a reference case in the impending high-throughput era of structural proteomics. Oxford University Press 2022-11-18 /pmc/articles/PMC9673494/ /pubmed/36399057 http://dx.doi.org/10.1093/gigascience/giac117 Text en © The Author(s) 2022. Published by Oxford University Press GigaScience. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Data Note Zhu, Yunchi Liao, Xin Han, Tingyu Chen, J-Y He, Chunpeng Lu, Zuhong Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title | Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title_full | Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title_fullStr | Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title_full_unstemmed | Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title_short | Utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
title_sort | utilizing an artificial intelligence system to build the digital structural proteome of reef-building corals |
topic | Data Note |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9673494/ https://www.ncbi.nlm.nih.gov/pubmed/36399057 http://dx.doi.org/10.1093/gigascience/giac117 |
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