Binding information for 4n8d_ligand_2_10.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n8d_ligand_2_10.mol2 | 4n8d | 0.653846 | -5.80 | COC1CCCCC1 | 8 |
Structure and binding mode of 4n8d_ligand_2_10.mol2(FDBF00747)
Important binding residues for 4n8d_ligand_2_10.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n8d | PHE357 | -1.09 | -0.12 | -1.21 | 0.35 | -0.86 |
| 4n8d | TYR666 | -0.81 | -0.11 | -0.92 | 0.50 | -0.42 |
