Binding information for 3g0i_ligand_3_6.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g0i_ligand_3_6.mol2 | 3g0i | 1 | -6.41 | CC(C)C(=O)N | 6 |
Structure and binding mode of 3g0i_ligand_3_6.mol2(FDBF00026)
Important binding residues for 3g0i_ligand_3_6.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g0i | ILE193 | -0.44 | 0.15 | -0.29 | -0.26 | -0.55 |
| 3g0i | TRP284 | -1.10 | -1.12 | -2.22 | 1.48 | -0.74 |
| 3g0i | LEU349 | -0.40 | 0.18 | -0.22 | -0.22 | -0.44 |
