Binding information for 1eve_ligand_3_0.mol2(FDBF02753)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eve_ligand_3_0.mol2 | 1eve | 0.658824 | -7.06 | C[C@@H]1Cc2c(cc(c(c2)OC)OC)C1=O | 15 |
Structure and binding mode of 1eve_ligand_3_0.mol2(FDBF02753)
Important binding residues for 1eve_ligand_3_0.mol2(FDBF02753)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1eve | TRP279 | -3.29 | 0.71 | -2.58 | 0.83 | -1.74 |
| 1eve | LEU282 | -0.40 | -0.37 | -0.77 | 0.43 | -0.33 |
| 1eve | ILE287 | -0.36 | -0.50 | -0.86 | 0.55 | -0.31 |
| 1eve | PHE288 | -0.48 | -1.00 | -1.48 | 0.91 | -0.57 |
| 1eve | PHE290 | -0.67 | -0.26 | -0.93 | 0.37 | -0.56 |
| 1eve | PHE330 | -0.46 | -0.19 | -0.65 | 0.32 | -0.33 |
| 1eve | PHE331 | -0.55 | -0.76 | -1.31 | 0.74 | -0.58 |
| 1eve | TYR334 | -1.68 | -0.12 | -1.8 | 0.46 | -1.33 |
