Binding information for 3gw5_ligand_4_140.mol2(FDBF00175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gw5_ligand_4_140.mol2 | 3gw5 | 1 | -5.95 | C(OC)CCC | 6 |
Structure and binding mode of 3gw5_ligand_4_140.mol2(FDBF00175)
Important binding residues for 3gw5_ligand_4_140.mol2(FDBF00175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gw5 | GLN19 | -1.16 | -1.10 | -2.26 | 0.42 | -1.84 |
| 3gw5 | TYR20 | -1.61 | -1.10 | -2.71 | 1.20 | -1.51 |
| 3gw5 | ALA229 | -0.63 | -0.49 | -1.12 | 0.59 | -0.53 |
