Binding information for 4wf2_ligand_3_145.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wf2_ligand_3_145.mol2 | 4wf2 | 1 | -5.73 | CCCO | 4 |
Structure and binding mode of 4wf2_ligand_3_145.mol2(FDBF00018)
Important binding residues for 4wf2_ligand_3_145.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wf2 | GLY117 | -0.20 | -1.17 | -1.37 | 0.69 | -0.68 |
| 4wf2 | ARG118 | -1.06 | -1.58 | -2.64 | 2.04 | -0.60 |
| 4wf2 | TRP123 | -1.38 | -0.16 | -1.54 | 0.43 | -1.10 |
| 4wf2 | ASP176 | -0.32 | 0.05 | -0.27 | -0.52 | -0.78 |
| 4wf2 | ILE187 | -0.51 | -0.01 | -0.52 | 0.09 | -0.43 |
| 4wf2 | LEU188 | -0.65 | -0.14 | -0.79 | 0.06 | -0.72 |
