Binding information for 4nzn_ligand_2_75.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nzn_ligand_2_75.mol2 | 4nzn | 0.653846 | -5.36 | C1CCC(CC1)OC | 8 |
Structure and binding mode of 4nzn_ligand_2_75.mol2(FDBF00747)
Important binding residues for 4nzn_ligand_2_75.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nzn | LYS103 | -0.98 | -2.55 | -3.53 | 2.69 | -0.85 |
| 4nzn | ARG213 | -1.64 | 0.62 | -1.02 | 0.52 | -0.50 |
