Binding information for 1p6d_ligand_1_5.mol2(FDBF00100)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_1_5.mol2 | 1p6d | 1 | -5.60 | C(OC=O)C | 5 |
Structure and binding mode of 1p6d_ligand_1_5.mol2(FDBF00100)
Important binding residues for 1p6d_ligand_1_5.mol2(FDBF00100)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1p6d | ASN55 | -0.18 | -0.18 | -0.36 | -0.10 | -0.45 |
| 1p6d | PHE66 | -1.33 | -0.02 | -1.35 | 0.12 | -1.23 |
| 1p6d | HIS69 | -0.26 | -0.13 | -0.39 | -0.27 | -0.66 |
| 1p6d | PHE70 | -0.81 | -0.38 | -1.19 | 0.26 | -0.93 |
| 1p6d | ASP122 | -0.06 | -0.94 | -1 | -0.33 | -1.34 |
| 1p6d | THR133 | -0.62 | -1.58 | -2.2 | 0.54 | -1.65 |
| 1p6d | ASN134 | -0.24 | -2.24 | -2.48 | 1.63 | -0.85 |
| 1p6d | GLU146 | -0.14 | -0.76 | -0.9 | -1.78 | -2.68 |
