Binding information for 3gss_ligand_4_1294.mol2(FDBF01022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gss_ligand_4_1294.mol2 | 3gss | 0.923077 | -5.75 | C(CC)CSC | 6 |
Structure and binding mode of 3gss_ligand_4_1294.mol2(FDBF01022)
Important binding residues for 3gss_ligand_4_1294.mol2(FDBF01022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gss | VAL10 | -0.71 | 0.08 | -0.63 | 0.02 | -0.61 |
