Replication Data for: Functional analysis of two novel retinitis pigmentosa mutations reveals structural role of the third transmembrane helix in rhodopsin photoactivation

Dataset

DOI

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.

Identifier
DOI	https://doi.org/10.34810/DATA2820
Metadata Access	https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/DATA2820

Provenance
Creator	Fernandez, Pol (ORCID: 0000-0001-6136-763X); Cruz Saez, Alejandro ; Wang, Feifei ; Cordomí, Arnau ; Morillo Cazorla, Margarita ; Perez, Juan Jesus ; Garriga, Pere
Publisher	CORA.Repositori de Dades de Recerca
Contributor	Garriga Sole, Pere; Universitat Politècnica de Catalunya; 240 (MP); 240 (CC)
Publication Year	2025
Funding Reference	https://ror.org/003x0zc53 PID2019-104817GB-I00 ; https://ror.org/01bg62x04 2021 SGR 00342
Rights	CC0 1.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/publicdomain/zero/1.0
OpenAccess	true
Contact	Garriga Sole, Pere (Universitat Politècnica de Catalunya)

Representation
Resource Type	Simulation data; Dataset
Format	application/vnd.palm; chemical/x-cif; text/x-python; text/plain; text/csv; image/png; text/tab-separated-values; text/x-fixed-field; application/octet-stream; application/x-tcl; application/x-sh; type/x-r-syntax; application/x-tgif; application/x-msdownload
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Version	1.0
Discipline	Chemistry; Life Sciences; Medicine; Natural Sciences
Spatial Coverage	Barcelona, Barcelona, Spain