Binding information for 3arr_ligand_3_0.mol2(FDBF00743)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3arr_ligand_3_0.mol2 | 3arr | 0.875 | -6.16 | CC(=O)CCC | 6 |
Structure and binding mode of 3arr_ligand_3_0.mol2(FDBF00743)
Important binding residues for 3arr_ligand_3_0.mol2(FDBF00743)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3arr | PHE316 | -0.68 | 0.85 | 0.17 | -0.91 | -0.75 |
| 3arr | VAL366 | -0.68 | -0.16 | -0.84 | 0.53 | -0.31 |
| 3arr | GLY367 | -0.51 | -0.97 | -1.48 | 0.71 | -0.77 |
| 3arr | TYR435 | -1.40 | -0.27 | -1.67 | 0.37 | -1.30 |
