Binding information for 1yt9_ligand_frag_4.mol2(FDBF01309)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt9_ligand_frag_4.mol2 | 1yt9 | 1 | -5.18 | n1ccsc1C | 6 |
Structure and binding mode of 1yt9_ligand_frag_4.mol2(FDBF01309)
Important binding residues for 1yt9_ligand_frag_4.mol2(FDBF01309)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yt9 | ARG8 | -1.26 | -0.58 | -1.84 | 1.33 | -0.51 |
| 1yt9 | VAL82 | -0.56 | -0.01 | -0.57 | -0.09 | -0.66 |
