Binding information for 3g0i_ligand_4_0.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g0i_ligand_4_0.mol2 | 3g0i | 1 | -6.85 | C[C@H](CCC)C(=O)N | 8 |
Structure and binding mode of 3g0i_ligand_4_0.mol2(FDBF00185)
Important binding residues for 3g0i_ligand_4_0.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g0i | ILE193 | -0.61 | 0.14 | -0.47 | -0.24 | -0.70 |
| 3g0i | LEU215 | -0.36 | 0.06 | -0.3 | -0.07 | -0.38 |
| 3g0i | TRP284 | -1.12 | -1.02 | -2.14 | 1.40 | -0.74 |
| 3g0i | LEU349 | -0.42 | 0.16 | -0.26 | -0.20 | -0.46 |
