Binding information for 4wt6_ligand_1_0.mol2(FDBF07402)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wt6_ligand_1_0.mol2 | 4wt6 | 1 | -5.92 | [NH3+]C1CCCC1 | 6 |
Structure and binding mode of 4wt6_ligand_1_0.mol2(FDBF07402)
Important binding residues for 4wt6_ligand_1_0.mol2(FDBF07402)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wt6 | LEU44 | -1.01 | -0.74 | -1.75 | 1.43 | -0.32 |
| 4wt6 | SER46 | -0.28 | -1.07 | -1.35 | 1.04 | -0.32 |
| 4wt6 | PHE49 | -0.57 | 0.18 | -0.39 | -0.09 | -0.48 |
| 4wt6 | VAL52 | -0.88 | -0.17 | -1.05 | 0.32 | -0.74 |
| 4wt6 | ASP128 | -0.42 | -30.23 | -30.65 | 30.24 | -0.41 |
