Binding information for 1rm8_ligand_1_10.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rm8_ligand_1_10.mol2 | 1rm8 | 0.285714 | -5.26 | C(=N\C)\O | 4 |
Structure and binding mode of 1rm8_ligand_1_10.mol2(FDBF00001)
Important binding residues for 1rm8_ligand_1_10.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rm8 | GLY204 | -0.46 | -1.55 | -2.01 | 1.61 | -0.40 |
| 1rm8 | PHE205 | -0.18 | -0.39 | -0.57 | 0.08 | -0.49 |
| 1rm8 | LEU206 | 0.11 | -1.69 | -1.58 | 0.56 | -1.02 |
| 1rm8 | PHE267 | -0.60 | -0.18 | -0.78 | 0.09 | -0.69 |
