Binding information for 1uv6_ligand_2_2.mol2(FDBF00906)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uv6_ligand_2_2.mol2 | 1uv6 | 1 | -5.74 | C(OC(=O)N)C | 6 |
Structure and binding mode of 1uv6_ligand_2_2.mol2(FDBF00906)
Important binding residues for 1uv6_ligand_2_2.mol2(FDBF00906)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uv6 | TRP143 | -1.33 | -1.69 | -3.02 | 2.44 | -0.58 |
| 1uv6 | THR144 | -0.80 | 0.58 | -0.22 | -0.61 | -0.83 |
| 1uv6 | CYS187 | -0.51 | -0.30 | -0.81 | 0.23 | -0.59 |
| 1uv6 | TYR192 | -1.01 | 0.37 | -0.64 | 0.20 | -0.44 |
| 1uv6 | ARG104 | -0.48 | -3.41 | -3.89 | 3.20 | -0.69 |
| 1uv6 | LEU112 | -0.50 | 0.16 | -0.34 | -0.24 | -0.58 |
| 1uv6 | MET114 | -1.11 | -0.09 | -1.2 | 0.35 | -0.86 |
