Binding information for 4qo4_ligand_2_17.mol2(FDBF00592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qo4_ligand_2_17.mol2 | 4qo4 | 0.895833 | -6.14 | c1(cccc(n1)C)C1CC1 | 10 |
Structure and binding mode of 4qo4_ligand_2_17.mol2(FDBF00592)
Important binding residues for 4qo4_ligand_2_17.mol2(FDBF00592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4qo4 | LEU54 | -0.91 | 0.54 | -0.37 | -0.21 | -0.58 |
| 4qo4 | PHE55 | -1.64 | 0.28 | -1.36 | -0.15 | -1.51 |
| 4qo4 | GLY58 | -1.32 | -1.05 | -2.37 | 0.93 | -1.45 |
| 4qo4 | GLN59 | -0.86 | -0.55 | -1.41 | 1.01 | -0.39 |
| 4qo4 | MET62 | -0.52 | 0.07 | -0.45 | -0.08 | -0.52 |
