Binding information for 1rm8_ligand_4_337.mol2(FDBF00031)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rm8_ligand_4_337.mol2 | 1rm8 | 1 | -6.18 | C(=O)(NC)C(C)C | 7 |
Structure and binding mode of 1rm8_ligand_4_337.mol2(FDBF00031)
Important binding residues for 1rm8_ligand_4_337.mol2(FDBF00031)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rm8 | PHE205 | -0.86 | -2.60 | -3.46 | 0.81 | -2.66 |
| 1rm8 | LEU206 | -0.78 | -3.06 | -3.84 | 1.18 | -2.65 |
| 1rm8 | PRO266 | -0.40 | -2.82 | -3.22 | 2.60 | -0.62 |
| 1rm8 | PHE267 | -0.80 | -0.13 | -0.93 | 0.42 | -0.51 |
| 1rm8 | TYR268 | -0.49 | -0.15 | -0.64 | 0.19 | -0.45 |
