Binding information for 3fhe_ligand_3_64.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_3_64.mol2 | 3fhe | 1 | -5.73 | CCCO | 4 |
Structure and binding mode of 3fhe_ligand_3_64.mol2(FDBF00018)
Important binding residues for 3fhe_ligand_3_64.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fhe | ALA137 | -0.55 | -0.24 | -0.79 | 0.34 | -0.45 |
| 3fhe | TYR378 | -1.02 | -0.34 | -1.36 | 0.71 | -0.66 |
