Binding information for 2hhn_ligand_2_12.mol2(FDBF00322)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hhn_ligand_2_12.mol2 | 2hhn | 1 | -5.56 | O[S](O)CC | 5 |
Structure and binding mode of 2hhn_ligand_2_12.mol2(FDBF00322)
Important binding residues for 2hhn_ligand_2_12.mol2(FDBF00322)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hhn | CYS25 | -0.36 | -0.66 | -1.02 | 0.55 | -0.46 |
| 2hhn | TRP26 | -0.50 | 1.25 | 0.75 | -1.16 | -0.42 |
| 2hhn | GLY69 | -0.65 | -4.61 | -5.26 | 4.47 | -0.80 |
| 2hhn | MET71 | -0.66 | -0.90 | -1.56 | 0.29 | -1.27 |
| 2hhn | GLY137 | -0.40 | 1.27 | 0.87 | -1.59 | -0.72 |
| 2hhn | VAL162 | -0.83 | -1.41 | -2.24 | 1.34 | -0.90 |
| 2hhn | HIS164 | -1.12 | -0.65 | -1.77 | 1.39 | -0.38 |
| 2hhn | GLY165 | -0.62 | 1.11 | 0.49 | -1.05 | -0.55 |
