Binding information for 3a2o_ligand_frag_11.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3a2o_ligand_frag_11.mol2 | 3a2o | 1 | -5.80 | C(=C)C | 3 |
Structure and binding mode of 3a2o_ligand_frag_11.mol2(FDBF00022)
Important binding residues for 3a2o_ligand_frag_11.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3a2o | ALA28 | -0.63 | -0.19 | -0.82 | -0.01 | -0.84 |
| 3a2o | ILE47 | -0.56 | 0.00 | -0.56 | -0.06 | -0.62 |
| 3a2o | ILE84 | -0.55 | 0.00 | -0.55 | -0.05 | -0.59 |
| 3a2o | ILE150 | -0.62 | 0.03 | -0.59 | -0.07 | -0.67 |
