Binding information for 3gus_ligand_5_15.mol2(FDBF00136)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gus_ligand_5_15.mol2 | 3gus | 0.434783 | -5.80 | C(CCCS)C | 6 |
Structure and binding mode of 3gus_ligand_5_15.mol2(FDBF00136)
Important binding residues for 3gus_ligand_5_15.mol2(FDBF00136)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gus | PHE8 | -1.26 | -0.20 | -1.46 | 0.36 | -1.10 |
| 3gus | VAL10 | -0.45 | -0.07 | -0.52 | 0.05 | -0.47 |
| 3gus | VAL35 | -0.33 | 0.08 | -0.25 | -0.11 | -0.37 |
