Binding information for 3g0i_ligand_4_4.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g0i_ligand_4_4.mol2 | 3g0i | 1 | -6.84 | C([C@H](C)C(=O)N)CC | 8 |
Structure and binding mode of 3g0i_ligand_4_4.mol2(FDBF00185)
Important binding residues for 3g0i_ligand_4_4.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g0i | ILE193 | -0.48 | 0.14 | -0.34 | -0.25 | -0.59 |
| 3g0i | LEU215 | -0.52 | 0.07 | -0.45 | -0.07 | -0.52 |
| 3g0i | TRP284 | -1.26 | -1.01 | -2.27 | 1.58 | -0.69 |
| 3g0i | LEU349 | -0.78 | 0.19 | -0.59 | -0.33 | -0.92 |
