Binding information for 4oma_ligand_frag_0.mol2(FDBF00365)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oma_ligand_frag_0.mol2 | 4oma | 0.808511 | -6.51 | n1c(c(ccc1)O)C | 8 |
Structure and binding mode of 4oma_ligand_frag_0.mol2(FDBF00365)
Important binding residues for 4oma_ligand_frag_0.mol2(FDBF00365)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oma | ILE89 | -0.39 | 0.09 | -0.3 | -0.18 | -0.47 |
| 4oma | ILE92 | -0.35 | 0.03 | -0.32 | -0.06 | -0.38 |
| 4oma | ILE112 | -0.09 | -0.01 | -0.1 | -0.20 | -0.31 |
| 4oma | TYR113 | -2.44 | 0.25 | -2.19 | 0.09 | -2.10 |
| 4oma | THR187 | -1.33 | 0.06 | -1.27 | 0.02 | -1.26 |
| 4oma | PHE188 | -0.68 | 0.15 | -0.53 | 0.18 | -0.36 |
| 4oma | SER207 | -0.83 | -0.30 | -1.13 | 0.20 | -0.94 |
| 4oma | LEU340 | -0.29 | 0.03 | -0.26 | -0.06 | -0.32 |
