Table 2.
Ligand pose | First protomer | Second protomer |
---|---|---|
1 | Phe522, Phe543, Leu547, Met581 | Ile662, Leu665, Ala666, Ile669, Leu670 |
2 | Phe543, Ala546, Leu547, Met581 | Phe591, Leu665, Ala666, Ile669, Leu670 |
3 | Phe522, Phe543, Leu547 | Phe591, Ile662, Leu663, Ala666, Leu670, |
4 | Phe522, Phe543, Leu547 | Phe591, Ile662, Leu663, Ala666, Leu670 |
5 | Phe543, Ala546, Leu547, Met581 | Phe591, Leu663, Leu665, Ala666, Ile669, Leu670 |
The top five poses of the 25OHD interactions with the lowest values of negative ΔG (free energy) are listed.