Binding information for 1gsz_ligand_5_786.mol2(FDBF01164)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gsz_ligand_5_786.mol2 | 1gsz | 1 | -6.04 | C[NH+](C)CCCC | 7 |
Structure and binding mode of 1gsz_ligand_5_786.mol2(FDBF01164)
Important binding residues for 1gsz_ligand_5_786.mol2(FDBF01164)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gsz | PHE365 | -1.73 | -0.08 | -1.81 | 0.11 | -1.71 |
| 1gsz | TRP489 | -1.50 | -2.88 | -4.38 | 3.17 | -1.20 |
