Binding information for 2hh5_ligand_2_30.mol2(FDBF07628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hh5_ligand_2_30.mol2 | 2hh5 | 0.444444 | -6.26 | N(C(=O)N1CCOCC1)CC | 11 |
Structure and binding mode of 2hh5_ligand_2_30.mol2(FDBF07628)
Important binding residues for 2hh5_ligand_2_30.mol2(FDBF07628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hh5 | CYS25 | -0.35 | 0.14 | -0.21 | -0.40 | -0.61 |
| 2hh5 | TRP26 | -0.50 | -0.18 | -0.68 | 0.23 | -0.45 |
| 2hh5 | LYS64 | -1.11 | -4.29 | -5.4 | 4.56 | -0.83 |
| 2hh5 | GLY68 | -1.49 | -0.12 | -1.61 | 0.74 | -0.87 |
| 2hh5 | GLY69 | -1.17 | -1.77 | -2.94 | 1.91 | -1.03 |
| 2hh5 | PHE70 | -1.21 | -0.98 | -2.19 | 1.00 | -1.19 |
| 2hh5 | HIS164 | -0.54 | 0.24 | -0.3 | -0.09 | -0.40 |
