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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...

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Detalles Bibliográficos
Autores principales: Zhu, Yunchi, Liao, Xin, Han, Tingyu, Chen, J-Y, He, Chunpeng, Lu, Zuhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
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.
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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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