Binding information for 1ahx_ligand_frag_0.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ahx_ligand_frag_0.mol2 | 1ahx | 1 | -5.91 | C(=O)(O)C | 4 |
Structure and binding mode of 1ahx_ligand_frag_0.mol2(FDBF00004)
Important binding residues for 1ahx_ligand_frag_0.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ahx | ILE17 | -0.66 | -1.51 | -2.17 | 1.25 | -0.92 |
| 1ahx | ILE37 | -0.60 | -4.68 | -5.28 | 2.67 | -2.62 |
| 1ahx | GLY38 | -0.25 | -5.10 | -5.35 | 2.72 | -2.63 |
| 1ahx | TRP140 | 0.00 | -29.76 | -29.76 | 25.78 | -3.98 |
| 1ahx | ASN194 | -0.23 | -26.46 | -26.69 | 22.97 | -3.72 |
| 1ahx | ARG386 | -0.14 | -33.93 | -34.07 | 23.24 | -10.83 |
