Binding information for 1o79_ligand_1_0.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o79_ligand_1_0.mol2 | 1o79 | 1 | -6.29 | C1CC[NH+](CC1)C | 7 |
Structure and binding mode of 1o79_ligand_1_0.mol2(FDBF00663)
Important binding residues for 1o79_ligand_1_0.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o79 | TRP312 | -1.44 | -0.43 | -1.87 | 0.87 | -0.99 |
| 1o79 | ALA364 | -0.06 | 1.03 | 0.97 | -1.32 | -0.34 |
| 1o79 | PHE365 | -1.37 | -0.62 | -1.99 | 0.20 | -1.79 |
| 1o79 | TRP489 | -1.15 | -2.66 | -3.81 | 2.91 | -0.90 |
