Binding information for 3gw5_ligand_3_85.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gw5_ligand_3_85.mol2 | 3gw5 | 1 | -5.84 | C(OC)CC | 5 |
Structure and binding mode of 3gw5_ligand_3_85.mol2(FDBF00169)
Important binding residues for 3gw5_ligand_3_85.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gw5 | GLN19 | -1.15 | -1.12 | -2.27 | 0.42 | -1.85 |
| 3gw5 | TYR20 | -1.59 | -1.09 | -2.68 | 1.18 | -1.49 |
| 3gw5 | ALA229 | -0.56 | -0.49 | -1.05 | 0.59 | -0.46 |
| 3gw5 | SER230 | -0.95 | -0.65 | -1.6 | 1.29 | -0.32 |
