Binding information for 3gs7_ligand_2_4.mol2(FDBF00176)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.571429 | -6.66 | c1ccccc1/C=N\O | 9 |
Structure and binding mode of 3gs7_ligand_2_4.mol2(FDBF00176)
Important binding residues for 3gs7_ligand_2_4.mol2(FDBF00176)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gs7 | LEU17 | -0.75 | 0.39 | -0.36 | -0.32 | -0.68 |
| 3gs7 | LEU110 | -1.07 | -0.25 | -1.32 | 0.06 | -1.27 |
