Binding information for 4fhi_ligand_2_53.mol2(FDBF07563)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhi_ligand_2_53.mol2 | 4fhi | 1 | -6.89 | [C@H](O)(C)C(C)(C)C | 7 |
Structure and binding mode of 4fhi_ligand_2_53.mol2(FDBF07563)
Important binding residues for 4fhi_ligand_2_53.mol2(FDBF07563)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhi | LEU255 | -0.68 | -0.07 | -0.75 | 0.16 | -0.59 |
| 4fhi | LEU258 | -0.81 | 0.05 | -0.76 | 0.16 | -0.61 |
| 4fhi | ALA259 | -0.66 | 0.04 | -0.62 | -0.09 | -0.70 |
| 4fhi | VAL262 | -0.57 | 0.06 | -0.51 | -0.17 | -0.68 |
| 4fhi | HIS333 | 0.55 | -3.82 | -3.27 | 1.67 | -1.60 |
| 4fhi | HIS423 | -0.52 | -2.82 | -3.34 | 2.23 | -1.12 |
| 4fhi | LEU430 | -0.47 | 0.57 | 0.1 | -0.52 | -0.42 |
| 4fhi | LEU440 | -0.66 | 0.09 | -0.57 | -0.05 | -0.62 |
