Binding information for 5aen_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5aen_ligand_frag_2.mol2 | 5aen | 1 | -6.83 | c1ccccc1 | 6 |
Structure and binding mode of 5aen_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 5aen_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5aen | PHE314 | -1.31 | 0.01 | -1.3 | 0.01 | -1.29 |
| 5aen | VAL367 | -0.60 | -0.08 | -0.68 | -0.03 | -0.71 |
| 5aen | LEU369 | -0.58 | 0.13 | -0.45 | -0.10 | -0.55 |
| 5aen | PRO374 | -0.61 | -0.18 | -0.79 | 0.29 | -0.50 |
| 5aen | ALA377 | -0.79 | -0.30 | -1.09 | 0.25 | -0.84 |
| 5aen | TYR378 | -0.63 | 0.01 | -0.62 | 0.26 | -0.36 |
| 5aen | PRO382 | -0.53 | -0.12 | -0.65 | 0.08 | -0.57 |
