Binding information for 3eqr_ligand_1_0.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eqr_ligand_1_0.mol2 | 3eqr | 1 | -5.53 | C(C)(C)OC | 5 |
Structure and binding mode of 3eqr_ligand_1_0.mol2(FDBF00684)
Important binding residues for 3eqr_ligand_1_0.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eqr | GLY133 | -0.38 | -0.48 | -0.86 | 0.32 | -0.54 |
| 3eqr | VAL140 | -0.29 | 0.03 | -0.26 | -0.13 | -0.39 |
| 3eqr | LEU259 | -0.54 | 0.04 | -0.5 | -0.10 | -0.61 |
