Connexin 46 and connexin 50 gap junction channel properties are shaped by structural and dynamic features of their N-terminal domains
DOI10.5281/zenodo.4625961Zenodo4625961MaRDI QIDQ6709835FDOQ6709835
Dataset published at Zenodo repository.
Steve Reichow, Honghong Chen, Ze Zhang, Bassam Haddad, Mena Atalla, Donglin Bai, Daniel M. Zuckerman, Umair Khan, Benny Yue
Publication date: 20 April 2021
Copyright license: Creative Commons Attribution 4.0 International
Provided are reduced trajectories (.dcd) of the MD simulations -- each trajectory has 100 ps/frame with only protein and ion atoms remaining. Each set of trajectories are accompanied by a protein structure file (.psf) which is required to visualize the trajectories in VMD. Additionally, the z-trajectories of each intracellular ion (2 ps/frame) are provided in zipped files. To re-create the potentials of mean force (PMF) in Yue Haddad et al., use the scripts provided with the paper (https://github.com/reichow-lab/Yue-Haddad_et-al.JPhysiol2021): python3 GapJ_Analysis.py "Cx46_Ace_Produc-1_POT_*" Choose a bin size in Å (3) Choose an output name (Cx46_Ace) Choose option (M) Choose time (ps) / frame (2) Choose column from file (1) Choose binmin/binmax (auto)
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