Binding information for 1p6d_ligand_3_344.mol2(FDBF01477)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_3_344.mol2 | 1p6d | 0.928571 | -6.11 | [C@H](OC=O)(CC)C | 7 |
Structure and binding mode of 1p6d_ligand_3_344.mol2(FDBF01477)
Important binding residues for 1p6d_ligand_3_344.mol2(FDBF01477)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1p6d | ASN55 | -0.43 | -0.22 | -0.65 | -1.32 | -1.97 |
| 1p6d | PHE66 | -1.07 | 0.01 | -1.06 | 0.07 | -0.99 |
| 1p6d | HIS69 | -0.73 | -0.16 | -0.89 | -1.64 | -2.53 |
| 1p6d | PHE70 | -0.98 | -0.37 | -1.35 | 0.03 | -1.32 |
| 1p6d | ASP122 | -0.24 | -1.01 | -1.25 | -3.71 | -4.97 |
| 1p6d | THR133 | -0.65 | -1.66 | -2.31 | 0.70 | -1.60 |
| 1p6d | ASN134 | -0.40 | -2.28 | -2.68 | 1.75 | -0.93 |
| 1p6d | GLU146 | -0.31 | -0.84 | -1.15 | -3.83 | -4.99 |
