Binding information for 1fwu_ligand_1_4.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fwu_ligand_1_4.mol2 | 1fwu | 0.735294 | -5.15 | C(O)[C@H]1O[C@H](CCC1)O | 9 |
Structure and binding mode of 1fwu_ligand_1_4.mol2(FDBF00454)
Important binding residues for 1fwu_ligand_1_4.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fwu | ASN102 | -0.82 | -1.71 | -2.53 | 1.92 | -0.61 |
| 1fwu | ARG103 | -0.67 | -1.20 | -1.87 | 0.84 | -1.03 |
| 1fwu | TRP117 | -0.72 | -0.04 | -0.76 | 0.23 | -0.52 |
