Binding information for 3gw5_ligand_2_30.mol2(FDBF00168)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gw5_ligand_2_30.mol2 | 3gw5 | 1 | -5.68 | C(OC)C | 4 |
Structure and binding mode of 3gw5_ligand_2_30.mol2(FDBF00168)
Important binding residues for 3gw5_ligand_2_30.mol2(FDBF00168)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gw5 | GLN19 | -1.05 | -1.10 | -2.15 | 0.42 | -1.73 |
| 3gw5 | TYR20 | -1.51 | -1.07 | -2.58 | 1.15 | -1.43 |
| 3gw5 | VAL36 | -0.33 | 0.10 | -0.23 | -0.20 | -0.42 |
| 3gw5 | PHE124 | -0.49 | -0.07 | -0.56 | 0.16 | -0.41 |
| 3gw5 | ALA229 | -0.53 | -0.50 | -1.03 | 0.60 | -0.43 |
| 3gw5 | SER230 | -0.78 | -0.65 | -1.43 | 1.05 | -0.37 |
