Binding information for 2uw6_ligand_2_0.mol2(FDBF00207)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uw6_ligand_2_0.mol2 | 2uw6 | 1 | -6.24 | [NH3+]CCc1ccc(Cl)cc1 | 10 |
Structure and binding mode of 2uw6_ligand_2_0.mol2(FDBF00207)
Important binding residues for 2uw6_ligand_2_0.mol2(FDBF00207)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uw6 | GLY50 | -1.07 | 0.40 | -0.67 | -0.31 | -0.98 |
| 2uw6 | THR51 | -1.13 | -0.41 | -1.54 | 1.09 | -0.46 |
| 2uw6 | VAL57 | -0.58 | 0.18 | -0.4 | -0.32 | -0.71 |
| 2uw6 | ASP166 | -0.02 | -38.86 | -38.88 | 38.55 | -0.33 |
| 2uw6 | GLU170 | -0.64 | -26.40 | -27.04 | 25.69 | -1.35 |
| 2uw6 | ASN171 | -0.62 | -9.01 | -9.63 | 7.36 | -2.27 |
| 2uw6 | ARG18 | -1.09 | 40.67 | 39.58 | -39.99 | -0.42 |
