Binding information for 4drk_ligand_2_27.mol2(FDBF01477)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4drk_ligand_2_27.mol2 | 4drk | 1 | -5.22 | CCCOC=O | 6 |
Structure and binding mode of 4drk_ligand_2_27.mol2(FDBF01477)
Important binding residues for 4drk_ligand_2_27.mol2(FDBF01477)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4drk | VAL86 | -1.04 | -1.77 | -2.81 | 0.56 | -2.25 |
| 4drk | ILE87 | -0.67 | -1.64 | -2.31 | 0.42 | -1.89 |
