Binding information for 3g0i_ligand_2_5.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g0i_ligand_2_5.mol2 | 3g0i | 1 | -6.03 | C(C)C(=O)N | 5 |
Structure and binding mode of 3g0i_ligand_2_5.mol2(FDBF00026)
Important binding residues for 3g0i_ligand_2_5.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g0i | ILE193 | -0.42 | 0.15 | -0.27 | -0.26 | -0.53 |
| 3g0i | TRP284 | -0.77 | -1.06 | -1.83 | 1.21 | -0.62 |
