Binding information for 2aa6_ligand_frag_1.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2aa6_ligand_frag_1.mol2 | 2aa6 | 1 | -5.55 | C(=O)C | 3 |
Structure and binding mode of 2aa6_ligand_frag_1.mol2(FDBF00098)
Important binding residues for 2aa6_ligand_frag_1.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2aa6 | LEU766 | -0.78 | -0.16 | -0.94 | 0.39 | -0.55 |
| 2aa6 | PHE941 | -0.41 | -0.11 | -0.52 | -0.15 | -0.67 |
| 2aa6 | THR945 | -0.68 | -1.89 | -2.57 | 2.04 | -0.53 |
| 2aa6 | PHE956 | -0.35 | -0.56 | -0.91 | 0.49 | -0.41 |
