Binding information for 3gss_ligand_4_1364.mol2(FDBF00413)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gss_ligand_4_1364.mol2 | 3gss | 0.923077 | -5.94 | [C@@H](CC)(CO)CS | 7 |
Structure and binding mode of 3gss_ligand_4_1364.mol2(FDBF00413)
Important binding residues for 3gss_ligand_4_1364.mol2(FDBF00413)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gss | VAL10 | -0.75 | 0.18 | -0.57 | -0.09 | -0.66 |
