Binding information for 2hhn_ligand_2_1.mol2(FDBF01723)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hhn_ligand_2_1.mol2 | 2hhn | 0.625 | -6.41 | O[S](O)Cc1ccccc1 | 10 |
Structure and binding mode of 2hhn_ligand_2_1.mol2(FDBF01723)
Important binding residues for 2hhn_ligand_2_1.mol2(FDBF01723)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hhn | GLY69 | -0.50 | -4.78 | -5.28 | 4.31 | -0.97 |
| 2hhn | PHE70 | -1.57 | 1.40 | -0.17 | -0.99 | -1.16 |
| 2hhn | MET71 | -1.02 | -1.27 | -2.29 | 0.55 | -1.74 |
| 2hhn | VAL136 | -0.19 | -0.98 | -1.17 | 0.85 | -0.31 |
| 2hhn | GLY137 | -0.51 | 1.12 | 0.61 | -1.42 | -0.81 |
| 2hhn | VAL162 | -1.56 | -1.19 | -2.75 | 0.96 | -1.79 |
| 2hhn | GLY165 | -0.49 | 1.21 | 0.72 | -1.22 | -0.50 |
| 2hhn | PHE211 | -1.18 | -1.86 | -3.04 | 1.94 | -1.10 |
