Binding information for 4oyb_ligand_1_2.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oyb_ligand_1_2.mol2 | 4oyb | 1 | -6.78 | Oc1ccccc1 | 7 |
Structure and binding mode of 4oyb_ligand_1_2.mol2(FDBF00006)
Important binding residues for 4oyb_ligand_1_2.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oyb | PHE45 | -0.67 | -0.43 | -1.1 | 0.42 | -0.68 |
| 4oyb | LYS95 | -0.77 | -0.49 | -1.26 | 0.36 | -0.89 |
| 4oyb | PHE96 | -0.42 | 0.27 | -0.15 | -0.20 | -0.35 |
| 4oyb | ALA97 | -0.80 | 0.28 | -0.52 | -0.19 | -0.71 |
| 4oyb | ALA100 | -0.74 | -0.47 | -1.21 | 0.45 | -0.75 |
| 4oyb | LEU101 | -0.53 | 0.28 | -0.25 | -0.16 | -0.41 |
| 4oyb | LEU102 | -1.11 | -0.07 | -1.18 | 0.12 | -1.06 |
| 4oyb | ARG176 | -0.23 | -1.58 | -1.81 | 1.47 | -0.34 |
| 4oyb | PHE336 | -1.42 | 0.14 | -1.28 | 0.38 | -0.90 |
| 4oyb | PHE338 | -0.47 | -0.39 | -0.86 | 0.55 | -0.32 |
