Binding information for 1wbv_ligand_1_0.mol2(FDBF01340)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wbv_ligand_1_0.mol2 | 1wbv | 0.862745 | -6.98 | Fc1cc(ccc1)N1CCOCC1 | 13 |
Structure and binding mode of 1wbv_ligand_1_0.mol2(FDBF01340)
Important binding residues for 1wbv_ligand_1_0.mol2(FDBF01340)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wbv | LEU74 | -1.14 | -0.40 | -1.54 | -0.04 | -1.58 |
| 1wbv | LEU75 | -1.02 | 0.51 | -0.51 | 0.19 | -0.32 |
| 1wbv | VAL83 | -0.53 | 0.34 | -0.19 | -0.24 | -0.43 |
| 1wbv | ILE84 | -0.88 | 0.20 | -0.68 | 0.03 | -0.65 |
| 1wbv | ILE141 | -0.95 | -0.10 | -1.05 | -0.08 | -1.13 |
| 1wbv | HIS148 | -1.62 | -0.56 | -2.18 | 0.60 | -1.58 |
| 1wbv | ILE166 | -1.10 | -0.54 | -1.64 | 0.38 | -1.26 |
| 1wbv | LEU167 | -1.27 | 0.33 | -0.94 | -0.20 | -1.13 |
| 1wbv | ASP168 | -2.10 | 0.86 | -1.24 | 0.89 | -0.35 |
