Binding information for 2b8v_ligand_2_9.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8v_ligand_2_9.mol2 | 2b8v | 1 | -5.92 | C(O)(C)C | 4 |
Structure and binding mode of 2b8v_ligand_2_9.mol2(FDBF00042)
Important binding residues for 2b8v_ligand_2_9.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8v | GLY34 | -0.73 | 1.31 | 0.58 | -1.32 | -0.74 |
| 2b8v | SER35 | -0.44 | 0.33 | -0.11 | -0.27 | -0.37 |
| 2b8v | TYR71 | -0.61 | -0.77 | -1.38 | 0.87 | -0.51 |
| 2b8v | GLY230 | -0.63 | 0.30 | -0.33 | -0.32 | -0.64 |
