Table 6 Intermolecular interaction between estrogens and ERα. avan der Waals energy; belectrostatic energy.
Estrogens | Intermolecular Energy | H-Bond Distance | |||
|---|---|---|---|---|---|
VDWa | Electb | Total | d1 (Glu353:OE2) | d2 (His524:ND1) | |
17β-estradiol | -55.06 | -20.43 | -75.48 | 1.56 | 2.02 |
Equilin | -58.17 | -12.33 | -70.49 | 1.71 | |
Δ8,9-dehydroestrone | -58.40 | -13.09 | -71.49 | 1.67 | |
Estrone | -55.92 | -12.76 | -68.68 | 1.66 | |