Binding information for 2rg6_ligand_1_5.mol2(FDBF00159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rg6_ligand_1_5.mol2 | 2rg6 | 0.6 | -5.57 | C(=O)NOC | 5 |
Structure and binding mode of 2rg6_ligand_1_5.mol2(FDBF00159)
Important binding residues for 2rg6_ligand_1_5.mol2(FDBF00159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rg6 | GLU71 | -0.05 | -8.23 | -8.28 | 7.27 | -1.01 |
| 2rg6 | LEU75 | -1.12 | 0.30 | -0.82 | -0.25 | -1.07 |
| 2rg6 | ILE84 | -0.22 | -0.31 | -0.53 | 0.23 | -0.31 |
| 2rg6 | LEU167 | -0.78 | -1.88 | -2.66 | 0.56 | -2.11 |
| 2rg6 | ASP168 | -0.30 | -0.48 | -0.78 | 0.04 | -0.74 |
| 2rg6 | PHE169 | -1.04 | -0.81 | -1.85 | 1.42 | -0.43 |
| 2rg6 | LEU171 | -0.65 | -0.21 | -0.86 | 0.18 | -0.68 |
