Binding information for 1yt9_ligand_frag_0.mol2(FDBF00178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt9_ligand_frag_0.mol2 | 1yt9 | 1 | -5.03 | [NH2+](C)O | 3 |
Structure and binding mode of 1yt9_ligand_frag_0.mol2(FDBF00178)
Important binding residues for 1yt9_ligand_frag_0.mol2(FDBF00178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yt9 | LYS45 | -0.22 | -2.06 | -2.28 | 1.96 | -0.32 |
| 1yt9 | ILE47 | -0.51 | 0.14 | -0.37 | -0.14 | -0.51 |
| 1yt9 | LEU76 | -0.41 | -0.10 | -0.51 | 0.13 | -0.39 |
