Binding information for 1p6d_ligand_1_6.mol2(FDBF00101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_1_6.mol2 | 1p6d | 1 | -5.69 | COC(=O)C | 5 |
Structure and binding mode of 1p6d_ligand_1_6.mol2(FDBF00101)
Important binding residues for 1p6d_ligand_1_6.mol2(FDBF00101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1p6d | THR65 | -0.37 | -0.41 | -0.78 | 0.47 | -0.32 |
| 1p6d | PHE66 | -1.14 | 0.10 | -1.04 | -0.07 | -1.11 |
| 1p6d | PHE70 | -0.88 | -0.37 | -1.25 | 0.26 | -0.99 |
| 1p6d | ASP122 | -0.03 | -0.43 | -0.46 | -0.21 | -0.66 |
| 1p6d | THR133 | -0.83 | -1.63 | -2.46 | 0.77 | -1.69 |
| 1p6d | ASN134 | -0.35 | -2.37 | -2.72 | 1.90 | -0.82 |
| 1p6d | GLU146 | -0.10 | -0.48 | -0.58 | -1.45 | -2.04 |
