Published January 20, 2023
| Version v1
Dataset
Open
Data set for "On the interplay between lipids and asymmetric dynamics of an NBS degenerate ABC transporter"
Authors/Creators
- 1. Inserm U1248 P&T, Univ. Limoges, France
Description
Supplementary data from molecular dynamics simulations performed on different states of bMRP1 (IF apo, IF ATP- and/or LTX-bound, as well as OF ATP-bound states) and embedded in different lipid bilayer membranes (namely POPC, POPE, POPC:POPE (3:1), POPC-Chol (3:1) and POPC:POPE:Chol (2:1:1).
Are included:
- Initial and postMD data
- MD inputs used
- Raw source data used for plot (ABC structural parameters, H-bond and non-covalent analyses, lipid order parameters, and efficiencies from Allopath tool)
- PCA supplementary movies (PC1)
Files
LipidOrder-data_Figure-4b.zip
Files
(174.1 MB)
| Name | Size | Download all |
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md5:1f24266f856046deae1161a2748deaa0
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21.8 kB | Preview Download |
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md5:3485c4b9e55e4482df59b1b31669612c
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174.1 MB | Preview Download |
Additional details
Related works
- Is documented by
- Preprint: 10.1101/2022.05.16.492073 (DOI)
Funding
- Agence Nationale de la Recherche
- IMOTEP - Modèles in silico du transport de médicaments au service de la médecine personnalisée ANR-19-CE17-0020
- Agence Nationale de la Recherche
- RAPRACLID - Roscovitine analogues as targeted pharmacotherapies for rare cholestatic liver diseases ANR-21-CE18-0030