Binding information for 3g6h_ligand_4_0.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g6h_ligand_4_0.mol2 | 3g6h | 1 | -6.00 | Nc1cc(OC)c(c(c1)OC)OC | 13 |
Structure and binding mode of 3g6h_ligand_4_0.mol2(FDBF02614)
Important binding residues for 3g6h_ligand_4_0.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g6h | LEU273 | -1.84 | -0.09 | -1.93 | -0.06 | -1.99 |
| 3g6h | MET341 | 0.23 | -2.15 | -1.92 | 1.30 | -0.63 |
| 3g6h | LYS343 | -0.66 | 0.06 | -0.6 | 0.13 | -0.48 |
| 3g6h | GLY344 | -1.50 | -0.38 | -1.88 | 0.72 | -1.16 |
| 3g6h | LEU393 | -0.84 | 0.24 | -0.6 | -0.18 | -0.78 |
| 3g6h | PHE405 | -0.36 | -0.05 | -0.41 | 0.05 | -0.37 |
