Binding information for 2ph6_ligand_2_0.mol2(FDBF00192)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ph6_ligand_2_0.mol2 | 2ph6 | 0.818182 | -6.31 | COC(=O)C([NH3+])(C)C | 8 |
Structure and binding mode of 2ph6_ligand_2_0.mol2(FDBF00192)
Important binding residues for 2ph6_ligand_2_0.mol2(FDBF00192)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ph6 | ASP32 | 2.40 | -54.61 | -52.21 | 46.55 | -5.66 |
| 2ph6 | SER35 | -0.60 | 1.25 | 0.65 | -1.26 | -0.61 |
| 2ph6 | TYR71 | -0.85 | 0.59 | -0.26 | -0.73 | -0.99 |
| 2ph6 | GLN73 | -0.76 | -1.94 | -2.7 | 2.25 | -0.44 |
| 2ph6 | ASP228 | -0.15 | -53.17 | -53.32 | 44.65 | -8.68 |
| 2ph6 | THR231 | -1.03 | 0.86 | -0.17 | -0.82 | -0.99 |
