Binding information for 3gwx_ligand_2_30.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gwx_ligand_2_30.mol2 | 3gwx | 1 | -5.85 | C=CCC=C | 5 |
Structure and binding mode of 3gwx_ligand_2_30.mol2(FDBF00076)
Important binding residues for 3gwx_ligand_2_30.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gwx | CYS285 | -1.02 | -0.31 | -1.33 | 0.54 | -0.79 |
| 3gwx | LEU330 | -0.30 | 0.00 | -0.3 | -0.11 | -0.42 |
