Binding information for 2gj5_ligand_frag_0.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gj5_ligand_frag_0.mol2 | 2gj5 | 0.727273 | -5.45 | C1CC(CCC1=C)O | 8 |
Structure and binding mode of 2gj5_ligand_frag_0.mol2(FDBF07641)
Important binding residues for 2gj5_ligand_frag_0.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gj5 | ALA37 | -0.17 | 0.16 | -0.01 | -0.60 | -0.61 |
| 2gj5 | PRO38 | -0.84 | -0.07 | -0.91 | 0.19 | -0.72 |
