Propofol rescues HCN1 epilepsy mutants and reveals non-canonical voltage-dependent gating in HCN channels
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https://figshare.com/articles/dataset/_b_Propofol_rescues_HCN1_epilepsy_mutants_and_reveals_non-canonical_voltage-dependent_gating_in_HCN_channels_b_/25483627
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1) atomic coordinates in pdb format (*.pdb) of HCN1 with eight propofol molecules bound at site 1 and site 2 of individual protomers and embedded in DOPC:POPE:POPS lipid. Two pdb files are the snapshots taken from the full atomistic MD simulation trajectories at t = 0 (initial) and t = 400 nanoseconds (final). The residue number 601-604 of propofols are placed at site 1 between protomers A/B, B/C, C/D, and D/A, and the residues 605-608 at site 2 of protomer A, B, C, and D in the pdb at t = 0.2) gromacs file (topol.top) which contains topology and forcefield parameters of all system components (HCN1, propofol, lipid, water, and ions).
创建时间:
2024-03-26



