Binding information for 3aya_ligand_2_7.mol2(FDBF07462)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3aya_ligand_2_7.mol2 | 3aya | 0.756757 | -5.02 | O([C@H]1OC[C@@H](CC1)O)CC | 10 |
Structure and binding mode of 3aya_ligand_2_7.mol2(FDBF07462)
Important binding residues for 3aya_ligand_2_7.mol2(FDBF07462)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3aya | ARG162 | -0.03 | -6.59 | -6.62 | 3.50 | -3.12 |
| 3aya | ARG186 | -0.31 | -0.29 | -0.6 | 0.02 | -0.58 |
