Binding information for 1o6r_ligand_5_210.mol2(FDBF00072)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o6r_ligand_5_210.mol2 | 1o6r | 1 | -6.03 | C(CC)C[NH+](C)C | 7 |
Structure and binding mode of 1o6r_ligand_5_210.mol2(FDBF00072)
Important binding residues for 1o6r_ligand_5_210.mol2(FDBF00072)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o6r | TRP312 | -0.89 | -1.10 | -1.99 | 1.25 | -0.74 |
| 1o6r | PHE365 | -1.88 | 0.24 | -1.64 | -0.08 | -1.72 |
| 1o6r | TRP489 | -1.51 | -2.45 | -3.96 | 2.74 | -1.22 |
| 1o6r | LEU607 | -0.26 | -13.87 | -14.13 | 13.81 | -0.32 |
