Binding information for 1fq4_ligand_4_1490.mol2(FDBF00394)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fq4_ligand_4_1490.mol2 | 1fq4 | 1 | -7.24 | [C@@H](O)(C)CCC1CCCCC1 | 11 |
Structure and binding mode of 1fq4_ligand_4_1490.mol2(FDBF00394)
Important binding residues for 1fq4_ligand_4_1490.mol2(FDBF00394)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fq4 | ILE30 | -0.45 | -0.05 | -0.5 | 0.17 | -0.34 |
| 1fq4 | GLY34 | -0.65 | 0.05 | -0.6 | -0.43 | -1.03 |
| 1fq4 | TYR75 | -1.91 | 0.28 | -1.63 | 0.50 | -1.13 |
| 1fq4 | ILE120 | -1.04 | 0.02 | -1.02 | -0.18 | -1.20 |
| 1fq4 | THR216 | -0.11 | -0.12 | -0.23 | -0.11 | -0.33 |
| 1fq4 | GLY217 | -1.39 | -0.53 | -1.92 | 0.43 | -1.49 |
