Binding information for 3fh7_ligand_1_4.mol2(FDBF00855)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh7_ligand_1_4.mol2 | 3fh7 | 1 | -6.32 | C[C@@H]1CCC[NH2+]1 | 6 |
Structure and binding mode of 3fh7_ligand_1_4.mol2(FDBF00855)
Important binding residues for 3fh7_ligand_1_4.mol2(FDBF00855)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh7 | TYR267 | -1.14 | -1.54 | -2.68 | 0.26 | -2.41 |
| 3fh7 | GLY269 | -0.13 | -4.31 | -4.44 | 4.08 | -0.36 |
| 3fh7 | MET270 | 0.04 | -1.58 | -1.54 | 0.95 | -0.59 |
| 3fh7 | GLU318 | -0.08 | -37.02 | -37.1 | 36.38 | -0.72 |
| 3fh7 | TYR378 | -0.67 | 0.25 | -0.42 | -0.17 | -0.59 |
