Binding information for 1rm8_ligand_4_334.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rm8_ligand_4_334.mol2 | 1rm8 | 1 | -6.74 | C(C)(C)C[C@@H](C(=O)N)C | 9 |
Structure and binding mode of 1rm8_ligand_4_334.mol2(FDBF00185)
Important binding residues for 1rm8_ligand_4_334.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rm8 | PHE205 | -0.70 | -2.51 | -3.21 | 0.83 | -2.38 |
| 1rm8 | LEU206 | -1.15 | -2.98 | -4.13 | 1.23 | -2.90 |
| 1rm8 | VAL243 | -0.70 | -0.12 | -0.82 | 0.20 | -0.61 |
| 1rm8 | PRO266 | -0.56 | -2.70 | -3.26 | 2.88 | -0.39 |
| 1rm8 | PHE267 | -1.13 | -0.18 | -1.31 | 0.69 | -0.61 |
| 1rm8 | TYR268 | -1.36 | -0.09 | -1.45 | 0.20 | -1.25 |
