Binding information for 4g93_ligand_1_3.mol2(FDBF06815)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g93_ligand_1_3.mol2 | 4g93 | 0.571429 | -5.44 | C(Br)C | 3 |
Structure and binding mode of 4g93_ligand_1_3.mol2(FDBF06815)
Important binding residues for 4g93_ligand_1_3.mol2(FDBF06815)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g93 | PHE110 | -0.36 | -0.17 | -0.53 | 0.05 | -0.48 |
| 4g93 | VAL124 | -0.27 | -0.23 | -0.5 | 0.15 | -0.35 |
| 4g93 | THR128 | -0.42 | 0.35 | -0.07 | -0.28 | -0.35 |
