Binding information for 3g6h_ligand_3_1.mol2(FDBF02609)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g6h_ligand_3_1.mol2 | 3g6h | 1 | -6.07 | Nc1cc(OC)c(cc1)OC | 11 |
Structure and binding mode of 3g6h_ligand_3_1.mol2(FDBF02609)
Important binding residues for 3g6h_ligand_3_1.mol2(FDBF02609)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g6h | LEU273 | -1.64 | -0.07 | -1.71 | -0.11 | -1.82 |
| 3g6h | MET341 | 0.27 | -2.27 | -2 | 1.50 | -0.49 |
| 3g6h | LYS343 | -0.43 | 0.21 | -0.22 | -0.18 | -0.41 |
| 3g6h | GLY344 | -1.21 | -0.52 | -1.73 | 0.65 | -1.08 |
| 3g6h | LEU393 | -0.83 | 0.21 | -0.62 | -0.18 | -0.80 |
| 3g6h | PHE405 | -0.36 | -0.05 | -0.41 | 0.05 | -0.36 |
