Binding information for 2yix_ligand_2_0.mol2(FDBF01818)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yix_ligand_2_0.mol2 | 2yix | 0.371429 | -6.28 | CCNC(=O)NC | 7 |
Structure and binding mode of 2yix_ligand_2_0.mol2(FDBF01818)
Important binding residues for 2yix_ligand_2_0.mol2(FDBF01818)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yix | GLU71 | -1.37 | -7.95 | -9.32 | 6.31 | -3.00 |
| 2yix | LEU75 | -1.39 | 0.21 | -1.18 | -0.23 | -1.40 |
| 2yix | ILE84 | -0.30 | -0.40 | -0.7 | 0.27 | -0.43 |
| 2yix | LEU167 | -1.09 | -2.23 | -3.32 | 0.63 | -2.70 |
| 2yix | ASP168 | -1.23 | -0.27 | -1.5 | 0.84 | -0.66 |
| 2yix | PHE169 | -1.68 | -0.92 | -2.6 | 1.45 | -1.15 |
