Binding information for 1gsz_ligand_1_11.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gsz_ligand_1_11.mol2 | 1gsz | 1 | -5.87 | C(=C)C | 3 |
Structure and binding mode of 1gsz_ligand_1_11.mol2(FDBF00022)
Important binding residues for 1gsz_ligand_1_11.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gsz | PHE365 | -0.64 | 0.09 | -0.55 | 0.07 | -0.48 |
| 1gsz | TRP489 | -0.49 | -0.01 | -0.5 | 0.15 | -0.35 |
