Binding information for 4fhi_ligand_1_8.mol2(FDBF00020)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhi_ligand_1_8.mol2 | 4fhi | 1 | -6.55 | C(O)C(C)(C)C | 6 |
Structure and binding mode of 4fhi_ligand_1_8.mol2(FDBF00020)
Important binding residues for 4fhi_ligand_1_8.mol2(FDBF00020)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhi | LEU255 | -0.63 | -0.06 | -0.69 | 0.16 | -0.53 |
| 4fhi | LEU258 | -0.59 | 0.05 | -0.54 | 0.12 | -0.42 |
| 4fhi | ALA259 | -0.64 | 0.04 | -0.6 | -0.09 | -0.68 |
| 4fhi | VAL262 | -0.72 | 0.06 | -0.66 | -0.16 | -0.82 |
| 4fhi | HIS333 | 0.72 | -3.56 | -2.84 | 1.57 | -1.27 |
| 4fhi | HIS423 | -0.41 | -2.94 | -3.35 | 2.25 | -1.10 |
| 4fhi | LEU430 | -0.46 | 0.61 | 0.15 | -0.55 | -0.41 |
| 4fhi | LEU440 | -0.65 | 0.08 | -0.57 | -0.04 | -0.61 |
