Binding information for 2yix_ligand_1_1.mol2(FDBF00119)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yix_ligand_1_1.mol2 | 2yix | 1 | -5.62 | NC(=O)NC | 5 |
Structure and binding mode of 2yix_ligand_1_1.mol2(FDBF00119)
Important binding residues for 2yix_ligand_1_1.mol2(FDBF00119)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yix | GLU71 | -0.79 | -8.14 | -8.93 | 6.34 | -2.59 |
| 2yix | LEU75 | -0.90 | 0.24 | -0.66 | -0.26 | -0.93 |
| 2yix | ILE84 | -0.17 | -0.36 | -0.53 | 0.20 | -0.33 |
| 2yix | LEU167 | -0.97 | -2.19 | -3.16 | 0.61 | -2.55 |
| 2yix | ASP168 | -0.79 | -0.35 | -1.14 | 0.76 | -0.38 |
| 2yix | PHE169 | -0.51 | -0.67 | -1.18 | 0.78 | -0.40 |
