Binding information for 2h4g_ligand_frag_3.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h4g_ligand_frag_3.mol2 | 2h4g | 1 | -5.90 | CC(=O)O | 4 |
Structure and binding mode of 2h4g_ligand_frag_3.mol2(FDBF00004)
Important binding residues for 2h4g_ligand_frag_3.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h4g | ASP181 | -0.67 | 18.07 | 17.4 | -19.00 | -1.60 |
| 2h4g | PHE182 | -1.41 | -5.42 | -6.83 | 4.42 | -2.41 |
| 2h4g | CYS215 | -0.37 | -6.79 | -7.16 | 5.69 | -1.48 |
| 2h4g | SER216 | -0.13 | -3.17 | -3.3 | 2.90 | -0.40 |
| 2h4g | ILE219 | -0.17 | -2.39 | -2.56 | 1.94 | -0.62 |
| 2h4g | GLY220 | -0.58 | -7.42 | -8 | 5.03 | -2.97 |
| 2h4g | ARG221 | -1.55 | -46.53 | -48.08 | 41.31 | -6.77 |
| 2h4g | GLN262 | -0.37 | -1.91 | -2.28 | 1.82 | -0.46 |
| 2h4g | GLN266 | -0.34 | 11.26 | 10.92 | -13.76 | -2.84 |
