Binding information for 1g85_ligand_4_0.mol2(FDBF01157)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g85_ligand_4_0.mol2 | 1g85 | 1 | -6.56 | [C@@H](O)(CC)CCC | 7 |
Structure and binding mode of 1g85_ligand_4_0.mol2(FDBF01157)
Important binding residues for 1g85_ligand_4_0.mol2(FDBF01157)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g85 | ILE22 | -0.38 | 0.03 | -0.35 | -0.06 | -0.42 |
| 1g85 | THR38 | -0.85 | -0.08 | -0.93 | 0.54 | -0.39 |
| 1g85 | PHE54 | -0.71 | -1.05 | -1.76 | 1.27 | -0.49 |
| 1g85 | VAL69 | -0.46 | -0.10 | -0.56 | -0.10 | -0.65 |
| 1g85 | TYR83 | -1.18 | -0.01 | -1.19 | 0.60 | -0.59 |
| 1g85 | ASN87 | -0.68 | 0.22 | -0.46 | 0.15 | -0.31 |
| 1g85 | PHE89 | -0.50 | 0.06 | -0.44 | 0.04 | -0.41 |
