Binding information for 4wtu_ligand_frag_0.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wtu_ligand_frag_0.mol2 | 4wtu | 0.610169 | -5.71 | C1OCCC=C1 | 6 |
Structure and binding mode of 4wtu_ligand_frag_0.mol2(FDBF06806)
Important binding residues for 4wtu_ligand_frag_0.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wtu | SER35 | -0.92 | 0.12 | -0.8 | 0.02 | -0.77 |
| 4wtu | VAL69 | -0.43 | -0.02 | -0.45 | -0.02 | -0.48 |
| 4wtu | TYR71 | -0.75 | -0.20 | -0.95 | 0.20 | -0.74 |
| 4wtu | ILE126 | -0.89 | -0.42 | -1.31 | 0.55 | -0.77 |
