Binding information for 2b8l_ligand_2_10.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8l_ligand_2_10.mol2 | 2b8l | 1 | -5.93 | CC(O)C | 4 |
Structure and binding mode of 2b8l_ligand_2_10.mol2(FDBF00042)
Important binding residues for 2b8l_ligand_2_10.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8l | GLY34 | -0.75 | 1.16 | 0.41 | -1.38 | -0.97 |
| 2b8l | SER35 | -0.45 | 0.30 | -0.15 | -0.25 | -0.40 |
| 2b8l | TYR71 | -0.74 | -0.70 | -1.44 | 0.87 | -0.57 |
| 2b8l | GLY230 | -0.62 | 0.32 | -0.3 | -0.38 | -0.68 |
| 2b8l | THR231 | -0.56 | -0.06 | -0.62 | 0.27 | -0.35 |
