Binding information for 4n6h_ligand_1_1.mol2(FDBF00250)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n6h_ligand_1_1.mol2 | 4n6h | 1 | -6.25 | CC1CC1 | 4 |
Structure and binding mode of 4n6h_ligand_1_1.mol2(FDBF00250)
Important binding residues for 4n6h_ligand_1_1.mol2(FDBF00250)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n6h | ILE277 | -0.38 | 0.00 | -0.38 | -0.05 | -0.43 |
| 4n6h | ILE304 | -0.82 | 0.05 | -0.77 | 0.27 | -0.50 |
| 4n6h | GLY307 | -0.58 | -0.14 | -0.72 | -0.06 | -0.78 |
| 4n6h | TYR308 | -1.48 | -0.05 | -1.53 | 0.52 | -1.01 |
