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Predicted binding energy of cardiotonic steroids with α1S- and α1R-Na,K-ATPase.
| OBN | DGX | MBG | |
|---|---|---|---|
| Model | Predicted Binding Energy (kcal/mol) | ||
| α1S-NKA (4HYT) | −11.0 | −12.0 | −9.0 |
| α1R-NKA (4HYT) | −7.2 | −8.0 | −7.8 |
| α1S-NKA (4RET) | −10.6 | −11.8 | −9.5 |
| α1R-NKA (4RET) | −7.4 | −9.0 | −8.2 |
α1S-NKA—α1-subunit of a porcine Na,K-ATPase; α1R-NKA—α1-subunit of a rat Na,K-ATPase; OBN—ouabain; DGX—digoxin; MBG—marinobufagenin.
