Binding information for 3d6o_ligand_2_2.mol2(FDBF01766)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d6o_ligand_2_2.mol2 | 3d6o | 0.626866 | -5.51 | C1CC[NH+](CC1)C[C@@H]1OC[C@@H]([C@H]1O)O | 14 |
Structure and binding mode of 3d6o_ligand_2_2.mol2(FDBF01766)
Important binding residues for 3d6o_ligand_2_2.mol2(FDBF01766)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d6o | VAL43 | -0.64 | -1.07 | -1.71 | 1.37 | -0.34 |
| 3d6o | PHE120 | -0.95 | -4.55 | -5.5 | 4.71 | -0.79 |
