Binding information for 2ghg_ligand_1_0.mol2(FDBF00855)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ghg_ligand_1_0.mol2 | 2ghg | 1 | -6.07 | [C@@H]1(CCC[NH2+]1)C | 6 |
Structure and binding mode of 2ghg_ligand_1_0.mol2(FDBF00855)
Important binding residues for 2ghg_ligand_1_0.mol2(FDBF00855)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ghg | LEU15 | -1.67 | -0.27 | -1.94 | 0.39 | -1.55 |
| 2ghg | GLY90 | -0.54 | -0.73 | -1.27 | 0.29 | -0.98 |
| 2ghg | LEU137 | -0.55 | -0.00 | -0.55 | -0.03 | -0.58 |
