Binding information for 2ofu_ligand_5_1471.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ofu_ligand_5_1471.mol2 | 2ofu | 1 | -5.93 | O(C)c1c(c(cc(c1)N)OC)OC | 13 |
Structure and binding mode of 2ofu_ligand_5_1471.mol2(FDBF02614)
Important binding residues for 2ofu_ligand_5_1471.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ofu | LEU251 | -2.40 | -0.38 | -2.78 | 0.46 | -2.33 |
| 2ofu | MET319 | -0.65 | -1.92 | -2.57 | 1.37 | -1.20 |
| 2ofu | ASN321 | -0.40 | 0.15 | -0.25 | -0.19 | -0.44 |
| 2ofu | GLY322 | -1.00 | -1.06 | -2.06 | 1.06 | -0.99 |
| 2ofu | LEU371 | -0.62 | 0.15 | -0.47 | -0.13 | -0.61 |
