Binding information for 1nl6_ligand_3_0.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nl6_ligand_3_0.mol2 | 1nl6 | 1 | -4.97 | OCC[NH+]1CCOCC1 | 9 |
Structure and binding mode of 1nl6_ligand_3_0.mol2(FDBF04171)
Important binding residues for 1nl6_ligand_3_0.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nl6 | ASN60 | -0.79 | -0.17 | -0.96 | 0.38 | -0.58 |
| 1nl6 | ASP61 | -0.21 | -19.79 | -20 | 19.65 | -0.35 |
