Binding information for 3fh5_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh5_ligand_frag_0.mol2 | 3fh5 | 1 | -6.78 | c1ccccc1 | 6 |
Structure and binding mode of 3fh5_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 3fh5_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh5 | PHE314 | -1.15 | -0.04 | -1.19 | 0.03 | -1.16 |
| 3fh5 | VAL367 | -0.65 | -0.10 | -0.75 | -0.01 | -0.76 |
| 3fh5 | LEU369 | -0.53 | 0.09 | -0.44 | -0.06 | -0.49 |
| 3fh5 | PRO374 | -0.52 | -0.14 | -0.66 | 0.26 | -0.39 |
| 3fh5 | ALA377 | -0.83 | -0.30 | -1.13 | 0.31 | -0.82 |
| 3fh5 | PRO382 | -0.68 | -0.12 | -0.8 | 0.09 | -0.71 |
