Binding information for 4hra_ligand_4_92.mol2(FDBF07405)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hra_ligand_4_92.mol2 | 4hra | 0.823529 | -5.70 | C[NH2+][C@H]1C[C@H](C1)CC | 8 |
Structure and binding mode of 4hra_ligand_4_92.mol2(FDBF07405)
Important binding residues for 4hra_ligand_4_92.mol2(FDBF07405)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hra | GLY163 | -0.80 | -5.85 | -6.65 | 5.83 | -0.83 |
| 4hra | GLY165 | -0.75 | 1.30 | 0.55 | -1.06 | -0.51 |
| 4hra | VAL169 | -0.50 | 1.27 | 0.77 | -1.19 | -0.42 |
