Binding information for 3fh8_ligand_2_0.mol2(FDBF01101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh8_ligand_2_0.mol2 | 3fh8 | 1 | -6.44 | CC[NH+]1CCCC1 | 7 |
Structure and binding mode of 3fh8_ligand_2_0.mol2(FDBF01101)
Important binding residues for 3fh8_ligand_2_0.mol2(FDBF01101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh8 | GLN136 | -1.07 | -12.10 | -13.17 | 10.78 | -2.39 |
| 3fh8 | ALA137 | -0.33 | -0.02 | -0.35 | -0.23 | -0.58 |
| 3fh8 | TYR267 | -2.77 | -0.07 | -2.84 | 0.21 | -2.64 |
| 3fh8 | MET270 | -0.88 | -1.43 | -2.31 | 1.24 | -1.07 |
| 3fh8 | GLU318 | -0.09 | -35.15 | -35.24 | 34.87 | -0.37 |
| 3fh8 | TYR378 | -1.57 | -0.35 | -1.92 | 0.58 | -1.34 |
