<b>Propofol rescues HCN1 epilepsy mutants and reveals non-canonical voltage-dependent gating in HCN channels</b>

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).1) 本数据集包含HCN1通道的PDB格式（pdb format）原子坐标，该通道结合有8个丙泊酚（propofol）分子，丙泊酚结合于各原聚体（protomer）的位点1与位点2，并嵌入于DOPC:POPE:POPS脂质体系中。两个PDB文件均为从全原子分子动力学（Molecular Dynamics, MD）模拟轨迹中截取的快照，分别对应时刻t=0（初始时刻）与t=400纳秒（终末时刻）。在t=0时刻的PDB文件中，丙泊酚的残基编号601-604位于原聚体A/B、B/C、C/D及D/A之间的位点1，残基编号605-608则分布于原聚体A、B、C、D的位点2。2) 本数据集还包含GROMACS文件（topol.top），该文件涵盖了体系所有组分（HCN1通道、丙泊酚、脂质、水分子与离子）的拓扑信息与力场参数。