Binding information for 1i7i_ligand_4_205.mol2(FDBF04962)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1i7i_ligand_4_205.mol2 | 1i7i | 0.909091 | -6.49 | C(Cc1ccc(cc1)O)O | 10 |
Structure and binding mode of 1i7i_ligand_4_205.mol2(FDBF04962)
Important binding residues for 1i7i_ligand_4_205.mol2(FDBF04962)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1i7i | ILE281 | -1.03 | 0.77 | -0.26 | -0.28 | -0.54 |
| 1i7i | GLY284 | -0.11 | -0.89 | -1 | -0.33 | -1.33 |
| 1i7i | CYS285 | -1.90 | 0.51 | -1.39 | 0.45 | -0.94 |
| 1i7i | ARG288 | -0.66 | -0.26 | -0.92 | 0.19 | -0.73 |
| 1i7i | LEU330 | -0.77 | 0.50 | -0.27 | -0.41 | -0.68 |
| 1i7i | VAL339 | -0.76 | 0.01 | -0.75 | -0.03 | -0.79 |
| 1i7i | ILE341 | -1.24 | -0.21 | -1.45 | 0.03 | -1.42 |
| 1i7i | MET348 | -0.58 | -1.10 | -1.68 | 1.36 | -0.31 |
| 1i7i | MET364 | -0.70 | -0.14 | -0.84 | 0.39 | -0.45 |
