Binding information for 3fhe_ligand_4_121.mol2(FDBF00069)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_4_121.mol2 | 3fhe | 1 | -5.98 | C[NH+](CCC)C | 6 |
Structure and binding mode of 3fhe_ligand_4_121.mol2(FDBF00069)
Important binding residues for 3fhe_ligand_4_121.mol2(FDBF00069)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fhe | ALA137 | -0.39 | -0.01 | -0.4 | -0.08 | -0.48 |
| 3fhe | TYR267 | -1.64 | -1.07 | -2.71 | 0.80 | -1.90 |
| 3fhe | MET270 | 0.14 | -1.65 | -1.51 | 1.08 | -0.43 |
| 3fhe | GLU318 | -0.16 | -40.18 | -40.34 | 39.43 | -0.90 |
| 3fhe | TYR378 | -1.35 | -1.32 | -2.67 | 1.07 | -1.60 |
