Binding information for 3gs7_ligand_3_6.mol2(FDBF00176)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_3_6.mol2 | 3gs7 | 0.714286 | -6.67 | CO/N=C\c1ccccc1 | 10 |
Structure and binding mode of 3gs7_ligand_3_6.mol2(FDBF00176)
Important binding residues for 3gs7_ligand_3_6.mol2(FDBF00176)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gs7 | LEU17 | -0.93 | 0.43 | -0.5 | -0.30 | -0.81 |
| 3gs7 | LEU110 | -1.08 | -0.25 | -1.33 | 0.06 | -1.27 |
