Binding information for 1oyn_ligand_frag_1.mol2(FDBF00013)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oyn_ligand_frag_1.mol2 | 1oyn | 1 | -5.46 | C1=CC(=O)N=C1 | 6 |
Structure and binding mode of 1oyn_ligand_frag_1.mol2(FDBF00013)
Important binding residues for 1oyn_ligand_frag_1.mol2(FDBF00013)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oyn | MET273 | -0.51 | 0.41 | -0.1 | -0.42 | -0.51 |
| 1oyn | LEU319 | -0.40 | 0.07 | -0.33 | -0.13 | -0.46 |
| 1oyn | ILE336 | -0.54 | 0.28 | -0.26 | -0.34 | -0.60 |
| 1oyn | PHE340 | -0.52 | 0.35 | -0.17 | -0.33 | -0.50 |
| 1oyn | PHE372 | -0.44 | 0.06 | -0.38 | -0.09 | -0.48 |
