Binding information for 3g70_ligand_1_5.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g70_ligand_1_5.mol2 | 3g70 | 1 | -5.79 | CC=C | 3 |
Structure and binding mode of 3g70_ligand_1_5.mol2(FDBF00022)
Important binding residues for 3g70_ligand_1_5.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g70 | TRP45 | -0.96 | 0.07 | -0.89 | 0.20 | -0.69 |
| 3g70 | PHE119 | -0.55 | 0.01 | -0.54 | 0.11 | -0.43 |
| 3g70 | VAL127 | -0.44 | 0.00 | -0.44 | -0.13 | -0.56 |
