Table 1.
Ion localization in the cytoplasmic domain: ∼1 M KCl simulations
| Kir1.1/ROMK |
Kir2.1/IRK |
Kir2.1/IRK (1U4F) |
||||
|---|---|---|---|---|---|---|
| K+ | Cl− | K+ | Cl− | K+ | Cl− | |
| Central pore (R < 15 Å, −9 Å < Z < 15 Å) | 9.6 ± 1.4 | 1.6 ± 0.2 | 7.7 ± 2.1 | 0.9 ± 0.3 | 4.8 | 0.0 |
| PIP2 binding region (5 Å < R < 30 Å, 15 Å < Z < 30 Å) | 11.1 ± 0.4 | 30.4 ± 1.0 | 11.7 ± 0.0 | 27.3 ± 0.7 | 17.7 | 18.6 |
| Constriction region (R < 15 Å, 15 Å < Z < 25 Å) | 1.7 ± 0.2 | 1.3 ± 0.2 | 0.8 ± 0.0 | 1.0 ± 0.2 | 0.5 | 1.2 |
| Cytoplasmic entrance (R < 20 Å, −30 Å < Z < −10Å) | 11.4 ± 1.7 | 8.7 ± 1.1 | 23.3 ± 0.9 | 7.7 ± 0.5 | 21.2 | 7.0 |
| Bulk (R < 40 Å, 35 Å < Z < 40 Å) | 15.8 ± 0.3 | 16.1 ± 0.2 | 13.6 ± 1.7 | 13.8 ± 1.9 | 16.6 | 16.8 |
All numbers are represented as averages ± SD, calculated over three independent runs, except the numbers for the 1U4F simulation, which was calculated from a single run.