Table 2 Binding energies for ligands versus native membrane proteins and their water-soluble QTY variants
Protein name | Ligand | Binding energy (kcal/mol) | |
|---|---|---|---|
Native | Water-soluble | ||
MGAT3 | Diacylglycerol (DAG) | − 6.8 ± 0.5 | − 6.6 ± 0.3 |
2-Monoacylglycerol (2-MAG) | − 6.6 ± 0.5 | − 6.1 ± 0.2 | |
Oleoyl-CoA | − 7.9 ± 0.3 | − 7.8 ± 0.2 | |
GPR35 | cGMP | − 8.1 ± 0.0 | − 7.6 ± 0.0 |
Kynurenic acid | − 6.6 ± 0.0 | − 6.5 ± 0.0 | |
Lysophosphatidic acid | − 6.5 ± 0.2 | − 6.0 ± 0.1 | |
Pamoic acid | − 9.9 ± 0.0 | − 7.9 ± 0.1 | |
Zaprinast | − 7.5 ± 0.1 | − 6.8 ± 0.1 | |
GPR37 | Neuroprotection D1 | − 6.3 ± 0.3 | − 5.9 ± 0.2 |
SLC10A1 | Bile acid | − 8.0 ± 0.0 | − 6.8 ± 0.2 |
Estrone sulfate | − 8.3 ± 0.0 | − 7.7 ± 0.0 | |
Glyco-chenodeoxycholic acid (GCDC) | − 7.7 ± 0.2 | − 7.9 ± 0.1 | |
Taurocholate | − 7.9 ± 0.0 | − 7.4 ± 0.1 | |
NPC1L1 | Cholesterol | − 7.3 ± 0.1 | − 6.8 ± 0.3 |