Binding information for 3gi6_ligand_1_11.mol2(FDBF01339)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gi6_ligand_1_11.mol2 | 3gi6 | 0.826087 | -5.86 | c1(ccccc1)N1C(=O)OCC1 | 12 |
Structure and binding mode of 3gi6_ligand_1_11.mol2(FDBF01339)
Important binding residues for 3gi6_ligand_1_11.mol2(FDBF01339)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gi6 | ALA28 | 0.19 | -1.39 | -1.2 | 0.50 | -0.70 |
| 3gi6 | ARG8 | -0.71 | -2.22 | -2.93 | 2.16 | -0.76 |
| 3gi6 | ILE50 | -0.46 | 0.07 | -0.39 | -0.08 | -0.47 |
