Binding information for 1ybg_ligand_1_6.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ybg_ligand_1_6.mol2 | 1ybg | 1 | -4.87 | C(C(=O)O)N(C=O)C | 8 |
Structure and binding mode of 1ybg_ligand_1_6.mol2(FDBF00181)
Important binding residues for 1ybg_ligand_1_6.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ybg | ARG91 | 0.87 | -33.36 | -32.49 | 29.12 | -3.38 |
| 1ybg | LYS160 | -0.02 | -34.44 | -34.46 | 34.15 | -0.31 |
| 1ybg | SER162 | -0.17 | -1.15 | -1.32 | 0.82 | -0.50 |
| 1ybg | VAL163 | -0.89 | -4.03 | -4.92 | 3.23 | -1.68 |
| 1ybg | PHE328 | -0.21 | -17.14 | -17.35 | 16.89 | -0.46 |
