Binding information for 5ar7_ligand_frag_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ar7_ligand_frag_1.mol2 | 5ar7 | 1 | -6.35 | C(C)(C)C | 4 |
Structure and binding mode of 5ar7_ligand_frag_1.mol2(FDBF00007)
Important binding residues for 5ar7_ligand_frag_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ar7 | ILE69 | -0.44 | -0.00 | -0.44 | 0.06 | -0.39 |
| 5ar7 | LEU70 | -0.51 | -0.01 | -0.52 | -0.00 | -0.52 |
| 5ar7 | ALA73 | -0.41 | 0.01 | -0.4 | 0.04 | -0.37 |
| 5ar7 | ILE78 | -0.68 | 0.01 | -0.67 | -0.03 | -0.69 |
| 5ar7 | LEU135 | -0.71 | -0.08 | -0.79 | 0.19 | -0.60 |
| 5ar7 | HIS144 | -1.09 | 0.00 | -1.09 | 0.37 | -0.71 |
| 5ar7 | ILE162 | -0.57 | -0.03 | -0.6 | 0.24 | -0.36 |
| 5ar7 | ALA163 | -0.53 | -0.02 | -0.55 | 0.18 | -0.38 |
| 5ar7 | ASP164 | -0.66 | -0.14 | -0.8 | 0.41 | -0.39 |
| 5ar7 | ARG171 | -0.87 | 0.16 | -0.71 | 0.05 | -0.66 |
