Binding information for 3gs7_ligand_4_0.mol2(FDBF00171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_4_0.mol2 | 3gs7 | 0.576923 | -6.65 | CO/N=C\c1c(OC)cccc1 | 12 |
Structure and binding mode of 3gs7_ligand_4_0.mol2(FDBF00171)
Important binding residues for 3gs7_ligand_4_0.mol2(FDBF00171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gs7 | LEU17 | -1.04 | 0.35 | -0.69 | -0.23 | -0.92 |
| 3gs7 | ALA109 | -0.42 | -0.34 | -0.76 | 0.23 | -0.54 |
| 3gs7 | LEU110 | -1.65 | -0.38 | -2.03 | 0.10 | -1.93 |
