Binding information for 4fhi_ligand_3_1.mol2(FDBF07247)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhi_ligand_3_1.mol2 | 4fhi | 0.815789 | -7.39 | Oc1ccc(CCC)cc1C | 11 |
Structure and binding mode of 4fhi_ligand_3_1.mol2(FDBF07247)
Important binding residues for 4fhi_ligand_3_1.mol2(FDBF07247)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhi | LEU258 | -0.58 | -0.03 | -0.61 | 0.05 | -0.56 |
| 4fhi | LEU261 | -1.62 | -0.49 | -2.11 | -0.02 | -2.12 |
| 4fhi | SER265 | -0.39 | -0.96 | -1.35 | 0.97 | -0.38 |
| 4fhi | ILE299 | -0.70 | 0.58 | -0.12 | -0.42 | -0.54 |
| 4fhi | ARG302 | -0.27 | 0.11 | -0.16 | -0.41 | -0.57 |
| 4fhi | SER303 | -1.58 | -1.02 | -2.6 | 0.95 | -1.66 |
| 4fhi | TRP314 | -2.41 | -0.35 | -2.76 | 0.84 | -1.91 |
| 4fhi | TYR323 | -1.21 | 0.02 | -1.19 | 0.29 | -0.90 |
| 4fhi | VAL328 | -0.58 | 0.03 | -0.55 | -0.14 | -0.69 |
