Research Data Leeds Repository

Citation

Bifsa, Foteini and Simmons, Katie (2025) Predictive modelling of the COMATOSE transporter reveals a conserved ligand binding pocket for acyl-CoAs and validates previous functional studies. University of Leeds. [Dataset] https://doi.org/10.5518/1759

Dataset description

Models of plant peroxisomal transporter COMATOSE (CTS) generated with AlphaFold2/3. Three distinct states were produced of the apo, ATP-bound and ADP-bound conformations. Docking of C22:0-CoA and CoA alone to models of plant peroxisomal transporter COMATOSE (CTS). These models include the apo, ATP-bound and ADP-boudn conformations generated with AlphaFold2/3.

Keywords:	AlphaFold2/3 prediction models; Docking of substrates
Subjects:	C000 - Biological sciences C000 - Biological sciences > C700 - Molecular biology, biophysics & biochemistry > C750 - Plant biochemistry
Divisions:	Faculty of Biological Sciences > School of Biomedical Sciences Faculty of Biological Sciences > School of Molecular and Cellular Biology
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	25 Sep 2025 12:29
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/1464
Additional details Additional details Creators or authors: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Bifsa, Foteini https://orcid.org/0000-0002-2289-8590 University of Leeds https://ror.org/024mrxd33 ror Simmons, Katie https://orcid.org/0000-0003-4846-9097 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: BBSRC Grant numbers: BB/T007222/1 Publication date: 2025 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: A.Baker@leeds.ac.uk Last Modified: 25 Sep 2025 12:38

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Documentation

README_FoteiniBifsa-et-al-2025.txt [6kB] README_FoteiniBifsa-et-al-2025.txt [6kB] README_FoteiniBifsa-et-al-2025.txt [6kB] Security: Anyone File name: README_FoteiniBifsa-et-al-2025.txt Content type: Documentation Mime-Type: text/plain License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 6kB

Data

Predicted_models_of_COMATOSE.zip [4MB] Predicted_models_of_COMATOSE.zip [4MB] Predicted_models_of_COMATOSE.zip [4MB] Security: Anyone File name: Predicted_models_of_COMATOSE.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 4MB

Docking_dataset.zip [3MB] Docking_dataset.zip [3MB] Docking_dataset.zip [3MB] Security: Anyone File name: Docking_dataset.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 3MB