Binding information for 3ig7_ligand_frag_0.mol2(FDBF01324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ig7_ligand_frag_0.mol2 | 3ig7 | 1 | -6.15 | C1CCC1 | 4 |
Structure and binding mode of 3ig7_ligand_frag_0.mol2(FDBF01324)
Important binding residues for 3ig7_ligand_frag_0.mol2(FDBF01324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ig7 | VAL18 | -0.32 | 0.01 | -0.31 | -0.09 | -0.40 |
| 3ig7 | ALA31 | -0.56 | 0.00 | -0.56 | 0.02 | -0.54 |
| 3ig7 | PHE80 | -0.94 | 0.01 | -0.93 | 0.16 | -0.77 |
| 3ig7 | LEU134 | -0.45 | 0.00 | -0.45 | -0.05 | -0.50 |
