Binding information for 1ebg_ligand_1_1.mol2(FDBF01681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ebg_ligand_1_1.mol2 | 1ebg | 0.571429 | -6.23 | OP(=O)(O)C | 5 |
Structure and binding mode of 1ebg_ligand_1_1.mol2(FDBF01681)
Important binding residues for 1ebg_ligand_1_1.mol2(FDBF01681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ebg | GLY37 | -0.80 | -1.77 | -2.57 | 1.72 | -0.84 |
| 1ebg | SER39 | -1.18 | 3.86 | 2.68 | -6.67 | -3.99 |
| 1ebg | ASP246 | -0.12 | -0.94 | -1.06 | 0.37 | -0.69 |
| 1ebg | GLU295 | -0.04 | -0.73 | -0.77 | 0.12 | -0.65 |
| 1ebg | ASP320 | -0.13 | 1.94 | 1.81 | -3.25 | -1.44 |
| 1ebg | ASP321 | -0.07 | 4.87 | 4.8 | -5.21 | -0.41 |
| 1ebg | ARG374 | -0.92 | -11.11 | -12.03 | 11.63 | -0.40 |
