Binding information for 1p6e_ligand_1_5.mol2(FDBF00101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6e_ligand_1_5.mol2 | 1p6e | 1 | -5.62 | COC(=O)C | 5 |
Structure and binding mode of 1p6e_ligand_1_5.mol2(FDBF00101)
Important binding residues for 1p6e_ligand_1_5.mol2(FDBF00101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1p6e | PHE66 | -1.21 | 0.03 | -1.18 | -0.00 | -1.18 |
| 1p6e | PHE70 | -0.65 | -0.16 | -0.81 | 0.12 | -0.69 |
| 1p6e | ASP122 | -0.02 | -0.02 | -0.04 | -0.38 | -0.42 |
| 1p6e | THR133 | -0.90 | -1.30 | -2.2 | 0.56 | -1.64 |
| 1p6e | ASN134 | -0.55 | -2.34 | -2.89 | 1.91 | -0.98 |
| 1p6e | HIS142 | -0.66 | 0.79 | 0.13 | -0.59 | -0.45 |
| 1p6e | GLU146 | -0.08 | 0.05 | -0.03 | -1.33 | -1.37 |
