Replication Data for: Functional analysis of two novel retinitis pigmentosa mutations reveals structural role of the third transmembrane helix in rhodopsin photoactivation
This dataset contains the AlphaFold3 (AF3) models of Rhodopsin (Rho) mutants T108P and G121R with highest AF3 score, topology and coordinates files of wild-type (WT) and T108P Rho to run their Molecular Dynamics (MD) simulations along with the necessary input files and the specific parameters for th...
| Autores: | , , , , , , |
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| Formato: | conjunto de datos |
| Fecha de publicación: | 2025 |
| País: | España |
| Recursos: | Consorci de Serveis Universitaris de Catalunya (CSUC) |
| Repositorio: | CORA.Repositori de Dades de Recerca |
| OAI Identifier: | oai:dnet:cora.rdr____::2df283ab0473bcd003e038b2f025e17b |
| Acesso em linha: | https://doi.org/10.34810/DATA2820 |
| Access Level: | acceso abierto |
| Palavra-chave: | Chemistry Medicine, Health and Life Sciences Rhodopsin Visual phototransduction Protein misfolding Retinal degeneration MD simulations |
| Resumo: | This dataset contains the AlphaFold3 (AF3) models of Rhodopsin (Rho) mutants T108P and G121R with highest AF3 score, topology and coordinates files of wild-type (WT) and T108P Rho to run their Molecular Dynamics (MD) simulations along with the necessary input files and the specific parameters for the Lysine-Retinal (LYR) residue, the MD representative structure of WT and T108P Rho and the computed channels that connect the LYR imine group with the bulk solvent for WT and T108P Rho. |
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