Published April 20, 2021
| Version v1.0
Dataset
Open
Connexin 46 and connexin 50 gap junction channel properties are shaped by structural and dynamic features of their N-terminal domains
Authors/Creators
- 1. Western University
- 2. Portland State University
- 3. Oregon Health & Science University
- 4. Portland State University; Oregon Health & Science University
Description
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)
Files
Files
(3.8 GB)
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104.8 MB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1113/JP281339 (DOI)
Funding
- National Institutes of Health
- Dynamic Mechanisms of Membrane Channel Gating by CryoEM 1R35GM124779-01