Binding information for 2yix_ligand_1_0.mol2(FDBF00120)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yix_ligand_1_0.mol2 | 2yix | 1 | -6.13 | CCNC(=O)N | 6 |
Structure and binding mode of 2yix_ligand_1_0.mol2(FDBF00120)
Important binding residues for 2yix_ligand_1_0.mol2(FDBF00120)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yix | GLU71 | -1.26 | -8.24 | -9.5 | 6.27 | -3.24 |
| 2yix | LEU75 | -1.29 | 0.22 | -1.07 | -0.22 | -1.29 |
| 2yix | LEU167 | -0.83 | -2.18 | -3.01 | 0.71 | -2.29 |
| 2yix | ASP168 | -1.06 | -0.64 | -1.7 | 0.63 | -1.08 |
| 2yix | PHE169 | -1.66 | -0.95 | -2.61 | 1.44 | -1.18 |
