Binding information for 3g6h_ligand_3_9.mol2(FDBF02612)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g6h_ligand_3_9.mol2 | 3g6h | 1 | -6.06 | Nc1cc(OC)cc(c1)OC | 11 |
Structure and binding mode of 3g6h_ligand_3_9.mol2(FDBF02612)
Important binding residues for 3g6h_ligand_3_9.mol2(FDBF02612)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g6h | LEU273 | -1.66 | -0.27 | -1.93 | 0.08 | -1.85 |
| 3g6h | MET341 | 0.24 | -2.11 | -1.87 | 1.29 | -0.58 |
| 3g6h | LYS343 | -0.57 | -0.05 | -0.62 | 0.08 | -0.54 |
| 3g6h | GLY344 | -1.36 | -0.82 | -2.18 | 0.67 | -1.51 |
| 3g6h | LEU393 | -0.81 | 0.18 | -0.63 | -0.16 | -0.79 |
| 3g6h | PHE405 | -0.35 | -0.08 | -0.43 | 0.07 | -0.36 |
