Table 1.
Interaction sites of E1P, E2P and OBN conformations of Na,K-ATPase with Aβ42 after docking and subsequent MD.
| Conformation of the Na, K-ATPase | Interaction Sites with Aβ42 after Docking, a.a. Residues | Interaction Sites with Aβ42 after MD, a.a. Residues |
|---|---|---|
| E1P | α-subunit: 121–124 312–317 887–893 β-subunit: 84–87 216–222 270–273 287–290 |
α-subunit: 117–126 311–318 794 884–894 β-subunit: 82–87 91–111 196 217 266–273 287–298 |
| E2P | α-subunit: 113–128 309–316 883–900 970–979 β-subunit: 82–107 197 216–226 267–273 285–290 294–303 |
α-subunit: 117–124 310–316 879 883 886–893 970–979 β-subunit: 83–85 91–107 217–218 268–273 287–290 |
| OBN | α-subunit: 117–125 309–317 886–893 969–979 β-subunit: 82–87 96–107 216–221 271–273 287–290 |
α-subunit: 115–125 306–317 792–795 879 883 886–893 974 β-subunit: 2–87 91 100 103–107 216–218 273 287–290 294 |