Binding information for 3fh8_ligand_1_0.mol2(FDBF00209)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh8_ligand_1_0.mol2 | 3fh8 | 1 | -6.11 | C[NH+]1CCCC1 | 6 |
Structure and binding mode of 3fh8_ligand_1_0.mol2(FDBF00209)
Important binding residues for 3fh8_ligand_1_0.mol2(FDBF00209)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh8 | GLN136 | -0.57 | -12.64 | -13.21 | 11.01 | -2.19 |
| 3fh8 | ALA137 | -0.16 | -0.11 | -0.27 | -0.13 | -0.41 |
| 3fh8 | TYR267 | -2.57 | -0.07 | -2.64 | 0.18 | -2.46 |
| 3fh8 | MET270 | -0.86 | -1.48 | -2.34 | 1.28 | -1.06 |
| 3fh8 | GLU318 | -0.09 | -35.43 | -35.52 | 35.08 | -0.44 |
| 3fh8 | TYR378 | -1.16 | -0.36 | -1.52 | 0.60 | -0.92 |
