Binding information for 1wbn_ligand_2_7.mol2(FDBF03834)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wbn_ligand_2_7.mol2 | 1wbn | 0.931034 | -6.74 | OCc1c(cccc1)Cl | 9 |
Structure and binding mode of 1wbn_ligand_2_7.mol2(FDBF03834)
Important binding residues for 1wbn_ligand_2_7.mol2(FDBF03834)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wbn | VAL38 | -0.43 | -0.25 | -0.68 | 0.10 | -0.58 |
| 1wbn | ALA51 | -0.70 | -0.02 | -0.72 | -0.04 | -0.76 |
| 1wbn | VAL52 | -0.35 | -0.03 | -0.38 | 0.03 | -0.35 |
| 1wbn | LYS53 | -1.61 | -1.49 | -3.1 | 2.79 | -0.31 |
| 1wbn | LEU75 | -0.46 | -0.17 | -0.63 | 0.15 | -0.48 |
| 1wbn | ILE84 | -0.87 | 0.04 | -0.83 | -0.07 | -0.90 |
| 1wbn | LEU104 | -0.91 | 0.47 | -0.44 | -0.29 | -0.73 |
| 1wbn | VAL105 | -0.27 | -0.21 | -0.48 | 0.04 | -0.44 |
| 1wbn | LEU167 | -0.62 | 0.39 | -0.23 | -0.16 | -0.40 |
| 1wbn | PHE169 | -0.53 | -0.00 | -0.53 | -0.02 | -0.55 |
