Binding information for 3fhe_ligand_5_120.mol2(FDBF00634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_5_120.mol2 | 3fhe | 1 | -5.73 | C[NH+](CCCO)C | 7 |
Structure and binding mode of 3fhe_ligand_5_120.mol2(FDBF00634)
Important binding residues for 3fhe_ligand_5_120.mol2(FDBF00634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fhe | ALA137 | -0.56 | 0.41 | -0.15 | -0.39 | -0.53 |
| 3fhe | TYR267 | -1.66 | -1.57 | -3.23 | 1.02 | -2.21 |
| 3fhe | MET270 | 0.12 | -1.66 | -1.54 | 1.11 | -0.43 |
| 3fhe | GLU318 | -0.17 | -38.93 | -39.1 | 38.18 | -0.92 |
| 3fhe | TYR378 | -1.48 | -1.21 | -2.69 | 0.97 | -1.71 |
