Binding information for 1i7g_ligand_4_205.mol2(FDBF04962)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1i7g_ligand_4_205.mol2 | 1i7g | 0.909091 | -6.47 | OCCc1ccc(cc1)O | 10 |
Structure and binding mode of 1i7g_ligand_4_205.mol2(FDBF04962)
Important binding residues for 1i7g_ligand_4_205.mol2(FDBF04962)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1i7g | ILE272 | -1.02 | 0.73 | -0.29 | -0.62 | -0.92 |
| 1i7g | CYS275 | -0.87 | -1.33 | -2.2 | 0.75 | -1.45 |
| 1i7g | CYS276 | -1.66 | 0.45 | -1.21 | 0.51 | -0.70 |
| 1i7g | THR279 | -0.80 | -0.37 | -1.17 | 0.48 | -0.69 |
| 1i7g | LEU321 | -0.57 | -0.32 | -0.89 | 0.23 | -0.65 |
| 1i7g | MET330 | -0.86 | 0.15 | -0.71 | 0.22 | -0.49 |
| 1i7g | VAL332 | -1.20 | -0.21 | -1.41 | -0.02 | -1.43 |
| 1i7g | ILE339 | -0.77 | 0.08 | -0.69 | -0.17 | -0.86 |
