Binding information for 4wn5_ligand_4_369.mol2(FDBF00085)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wn5_ligand_4_369.mol2 | 4wn5 | 1 | -6.44 | C(C=C)CCC | 6 |
Structure and binding mode of 4wn5_ligand_4_369.mol2(FDBF00085)
Important binding residues for 4wn5_ligand_4_369.mol2(FDBF00085)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wn5 | MET249 | -0.81 | 0.10 | -0.71 | 0.32 | -0.38 |
| 4wn5 | ALA274 | -0.62 | -0.08 | -0.7 | -0.06 | -0.76 |
| 4wn5 | VAL286 | -0.66 | 0.00 | -0.66 | 0.04 | -0.62 |
| 4wn5 | ILE290 | -0.61 | 0.00 | -0.61 | -0.06 | -0.67 |
| 4wn5 | THR301 | -0.48 | 0.02 | -0.46 | 0.00 | -0.45 |
| 4wn5 | THR318 | -1.09 | -0.04 | -1.13 | 0.15 | -0.98 |
| 4wn5 | HIS338 | -0.67 | -0.15 | -0.82 | 0.47 | -0.35 |
