Binding information for 4fhh_ligand_2_53.mol2(FDBF07563)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhh_ligand_2_53.mol2 | 4fhh | 1 | -6.83 | [C@H](O)(C(C)(C)C)C | 7 |
Structure and binding mode of 4fhh_ligand_2_53.mol2(FDBF07563)
Important binding residues for 4fhh_ligand_2_53.mol2(FDBF07563)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhh | LEU255 | -0.81 | -0.07 | -0.88 | 0.15 | -0.73 |
| 4fhh | LEU258 | -0.90 | -0.02 | -0.92 | 0.19 | -0.72 |
| 4fhh | ALA259 | -0.72 | 0.02 | -0.7 | -0.07 | -0.77 |
| 4fhh | VAL262 | -0.93 | 0.14 | -0.79 | -0.13 | -0.92 |
| 4fhh | HIS423 | -0.75 | -2.70 | -3.45 | 2.56 | -0.90 |
| 4fhh | LEU430 | -0.47 | 0.41 | -0.06 | -0.36 | -0.41 |
| 4fhh | LEU440 | -0.41 | 0.09 | -0.32 | -0.03 | -0.35 |
