Artificial intelligence reveals nuclear pore complexity. Mosalaganti, S., Obarska-Kosinska, A., Siggel, M., Turonova, B., Zimmerli, C. E., Buczak, K., Schmidt, F. H., Margiotta, E., Mackmull, M., Hagen, W., Hummer, G., Beck, M., & Kosinski, J. Technical Report November, 2021. Company: Cold Spring Harbor Laboratory Distributor: Cold Spring Harbor Laboratory Label: Cold Spring Harbor Laboratory Section: New Results Type: article![Artificial intelligence reveals nuclear pore complexity [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex Nuclear pore complexes (NPCs) mediate nucleocytoplasmic transport. Their intricate 120 MDa architecture remains incompletely understood. Here, we report a near-complete structural model of the human NPC scaffold with explicit membrane and in multiple conformational states. We combined AI-based structure prediction with in situ and in cellulo cryo-electron tomography and integrative modeling. We show that linker Nups spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulations suggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion, but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated with in situ structural biology to understand subcellular architecture across spatial organization levels. One sentence summary An AI-based, dynamic model of the human nuclear pore complex reveals how the protein scaffold and the nuclear envelope are coupled inside cells.
@techreport{mosalaganti_artificial_2021,
title = {Artificial intelligence reveals nuclear pore complexity},
copyright = {© 2021, Posted by Cold Spring Harbor Laboratory. This pre-print is available under a Creative Commons License (Attribution-NonCommercial-NoDerivs 4.0 International), CC BY-NC-ND 4.0, as described at http://creativecommons.org/licenses/by-nc-nd/4.0/},
url = {https://www.biorxiv.org/content/10.1101/2021.10.26.465776v3},
abstract = {Nuclear pore complexes (NPCs) mediate nucleocytoplasmic transport. Their intricate 120 MDa architecture remains incompletely understood. Here, we report a near-complete structural model of the human NPC scaffold with explicit membrane and in multiple conformational states. We combined AI-based structure prediction with in situ and in cellulo cryo-electron tomography and integrative modeling. We show that linker Nups spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulations suggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion, but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated with in situ structural biology to understand subcellular architecture across spatial organization levels.
One sentence summary An AI-based, dynamic model of the human nuclear pore complex reveals how the protein scaffold and the nuclear envelope are coupled inside cells.},
language = {en},
urldate = {2022-01-19},
author = {Mosalaganti, Shyamal and Obarska-Kosinska, Agnieszka and Siggel, Marc and Turonova, Beata and Zimmerli, Christian E. and Buczak, Katarzyna and Schmidt, Florian H. and Margiotta, Erica and Mackmull, Marie-Therese and Hagen, Wim and Hummer, Gerhard and Beck, Martin and Kosinski, Jan},
month = nov,
year = {2021},
doi = {10.1101/2021.10.26.465776},
note = {Company: Cold Spring Harbor Laboratory
Distributor: Cold Spring Harbor Laboratory
Label: Cold Spring Harbor Laboratory
Section: New Results
Type: article},
pages = {2021.10.26.465776},
}
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Here, we report a near-complete structural model of the human NPC scaffold with explicit membrane and in multiple conformational states. We combined AI-based structure prediction with in situ and in cellulo cryo-electron tomography and integrative modeling. We show that linker Nups spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulations suggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion, but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated with in situ structural biology to understand subcellular architecture across spatial organization levels. 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