Binding information for 2wig_ligand_1_0.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wig_ligand_1_0.mol2 | 2wig | 1 | -5.64 | OCC | 3 |
Structure and binding mode of 2wig_ligand_1_0.mol2(FDBF00041)
Important binding residues for 2wig_ligand_1_0.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wig | GLY117 | -0.56 | -0.74 | -1.3 | 0.44 | -0.86 |
| 2wig | SER198 | 1.58 | -2.56 | -0.98 | 0.13 | -0.86 |
| 2wig | ALA199 | -0.31 | -0.29 | -0.6 | 0.14 | -0.45 |
| 2wig | TRP231 | -1.78 | 0.58 | -1.2 | 0.32 | -0.88 |
| 2wig | LEU286 | -0.61 | -0.05 | -0.66 | 0.28 | -0.37 |
