Binding information for 4fhh_ligand_1_8.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhh_ligand_1_8.mol2 | 4fhh | 1 | -6.49 | C(O)C(C)(C)C | 6 |
Structure and binding mode of 4fhh_ligand_1_8.mol2(FDBF00018)
Important binding residues for 4fhh_ligand_1_8.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhh | LEU255 | -0.77 | -0.07 | -0.84 | 0.15 | -0.69 |
| 4fhh | LEU258 | -0.65 | 0.01 | -0.64 | 0.14 | -0.50 |
| 4fhh | ALA259 | -0.69 | 0.03 | -0.66 | -0.08 | -0.74 |
| 4fhh | VAL262 | -0.92 | 0.13 | -0.79 | -0.16 | -0.95 |
| 4fhh | HIS423 | -0.64 | -2.87 | -3.51 | 2.51 | -1.01 |
| 4fhh | LEU430 | -0.45 | 0.44 | -0.01 | -0.38 | -0.39 |
| 4fhh | LEU440 | -0.39 | 0.08 | -0.31 | -0.03 | -0.35 |
