Binding information for 1g7g_ligand_frag_12.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g7g_ligand_frag_12.mol2 | 1g7g | 1 | -5.91 | CC(=O)O | 4 |
Structure and binding mode of 1g7g_ligand_frag_12.mol2(FDBF00004)
Important binding residues for 1g7g_ligand_frag_12.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g7g | PHE182 | -0.18 | -6.83 | -7.01 | 4.73 | -2.28 |
| 1g7g | ILE219 | -0.19 | -2.40 | -2.59 | 1.91 | -0.68 |
| 1g7g | GLY220 | -0.68 | -6.94 | -7.62 | 4.69 | -2.93 |
| 1g7g | ARG221 | -1.28 | -46.06 | -47.34 | 38.65 | -8.69 |
| 1g7g | GLN262 | -0.55 | -2.44 | -2.99 | 2.16 | -0.83 |
| 1g7g | GLN266 | 0.19 | 9.30 | 9.49 | -13.83 | -4.34 |
