Binding information for 1uv6_ligand_2_0.mol2(FDBF00068)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uv6_ligand_2_0.mol2 | 1uv6 | 1 | -6.07 | CC[N+](C)(C)C | 6 |
Structure and binding mode of 1uv6_ligand_2_0.mol2(FDBF00068)
Important binding residues for 1uv6_ligand_2_0.mol2(FDBF00068)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uv6 | TRP143 | -1.90 | -7.99 | -9.89 | 9.27 | -0.62 |
| 1uv6 | THR144 | -0.32 | 0.60 | 0.28 | -0.69 | -0.41 |
| 1uv6 | TYR185 | -1.29 | 1.19 | -0.1 | -0.87 | -0.97 |
| 1uv6 | CYS187 | -0.61 | 0.02 | -0.59 | -0.16 | -0.75 |
| 1uv6 | TYR192 | -1.38 | -1.75 | -3.13 | 2.02 | -1.11 |
| 1uv6 | MET114 | -0.92 | -0.28 | -1.2 | 0.76 | -0.45 |
