Binding information for 1fq7_ligand_4_2990.mol2(FDBF00394)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fq7_ligand_4_2990.mol2 | 1fq7 | 1 | -7.23 | C(C[C@@H](O)C)C1CCCCC1 | 11 |
Structure and binding mode of 1fq7_ligand_4_2990.mol2(FDBF00394)
Important binding residues for 1fq7_ligand_4_2990.mol2(FDBF00394)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fq7 | GLY34 | -0.55 | -0.38 | -0.93 | -0.42 | -1.35 |
| 1fq7 | TYR75 | -1.86 | 0.21 | -1.65 | 0.47 | -1.17 |
| 1fq7 | THR77 | -1.02 | 0.06 | -0.96 | 0.44 | -0.53 |
| 1fq7 | THR111 | -0.39 | 0.02 | -0.37 | 0.05 | -0.32 |
| 1fq7 | PHE112 | -0.73 | 0.01 | -0.72 | 0.27 | -0.45 |
| 1fq7 | PHE117 | -0.80 | 0.24 | -0.56 | 0.20 | -0.36 |
| 1fq7 | ILE120 | -0.79 | -0.05 | -0.84 | -0.10 | -0.94 |
| 1fq7 | THR216 | -0.12 | -0.12 | -0.24 | -0.18 | -0.42 |
