Binding information for 1g85_ligand.mol2(FDBF07196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g85_ligand.mol2 | 1g85 | 0.923077 | -7.03 | CC[C@@H](O)CCCCC | 10 |
Structure and binding mode of 1g85_ligand.mol2(FDBF07196)
Important binding residues for 1g85_ligand.mol2(FDBF07196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g85 | ILE22 | -0.76 | 0.03 | -0.73 | -0.09 | -0.82 |
| 1g85 | THR38 | -0.93 | -0.05 | -0.98 | 0.60 | -0.38 |
| 1g85 | PHE54 | -0.75 | -0.91 | -1.66 | 1.14 | -0.52 |
| 1g85 | VAL69 | -0.46 | -0.08 | -0.54 | -0.10 | -0.65 |
| 1g85 | TYR83 | -1.19 | 0.02 | -1.17 | 0.62 | -0.55 |
| 1g85 | PHE89 | -0.77 | 0.06 | -0.71 | 0.12 | -0.58 |
| 1g85 | ASN103 | -1.28 | -0.08 | -1.36 | 0.66 | -0.69 |
| 1g85 | LEU115 | -0.84 | 0.03 | -0.81 | -0.02 | -0.83 |
