Binding information for 2hhn_ligand_2_30.mol2(FDBF07628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hhn_ligand_2_30.mol2 | 2hhn | 0.444444 | -6.15 | CCNC(=O)N1CCOCC1 | 11 |
Structure and binding mode of 2hhn_ligand_2_30.mol2(FDBF07628)
Important binding residues for 2hhn_ligand_2_30.mol2(FDBF07628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hhn | CYS25 | -0.35 | -0.19 | -0.54 | 0.15 | -0.40 |
| 2hhn | TRP26 | -0.58 | -0.20 | -0.78 | 0.30 | -0.48 |
| 2hhn | LYS64 | -1.18 | -0.54 | -1.72 | 1.08 | -0.64 |
| 2hhn | GLY68 | -1.58 | -0.34 | -1.92 | 0.69 | -1.22 |
| 2hhn | GLY69 | -1.32 | -1.56 | -2.88 | 1.89 | -1.00 |
| 2hhn | PHE70 | -1.52 | -0.87 | -2.39 | 0.88 | -1.51 |
| 2hhn | HIS164 | -0.57 | 0.25 | -0.32 | -0.09 | -0.41 |
