Binding information for 2a2g_ligand_frag_1.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a2g_ligand_frag_1.mol2 | 2a2g | 1 | -5.91 | C(=C)C | 3 |
Structure and binding mode of 2a2g_ligand_frag_1.mol2(FDBF00022)
Important binding residues for 2a2g_ligand_frag_1.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2a2g | PHE90 | -0.73 | 0.14 | -0.59 | 0.08 | -0.51 |
| 2a2g | PHE103 | -0.90 | -0.02 | -0.92 | 0.17 | -0.76 |
