Binding information for 3gwx_ligand_2_63.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gwx_ligand_2_63.mol2 | 3gwx | 1 | -6.03 | C(=C)CC=C | 5 |
Structure and binding mode of 3gwx_ligand_2_63.mol2(FDBF00076)
Important binding residues for 3gwx_ligand_2_63.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gwx | MET228 | -0.56 | -0.13 | -0.69 | 0.27 | -0.42 |
| 3gwx | MET329 | -1.13 | -0.26 | -1.39 | 0.25 | -1.13 |
| 3gwx | LEU330 | -0.94 | -0.02 | -0.96 | -0.02 | -0.99 |
| 3gwx | ILE333 | -0.75 | -0.00 | -0.75 | -0.06 | -0.81 |
