Binding information for 2hh5_ligand_2_1.mol2(FDBF01722)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hh5_ligand_2_1.mol2 | 2hh5 | 0.806452 | -6.47 | c1(ccccc1)C[S](O)O | 10 |
Structure and binding mode of 2hh5_ligand_2_1.mol2(FDBF01722)
Important binding residues for 2hh5_ligand_2_1.mol2(FDBF01722)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hh5 | TRP26 | -0.33 | 0.72 | 0.39 | -0.78 | -0.39 |
| 2hh5 | GLY69 | -0.36 | -5.29 | -5.65 | 4.67 | -0.98 |
| 2hh5 | PHE70 | -1.76 | 0.94 | -0.82 | -0.59 | -1.41 |
| 2hh5 | MET71 | -1.10 | -0.96 | -2.06 | 0.35 | -1.71 |
| 2hh5 | GLY137 | -0.52 | 0.92 | 0.4 | -1.28 | -0.88 |
| 2hh5 | VAL162 | -1.62 | -1.08 | -2.7 | 0.68 | -2.02 |
| 2hh5 | ASN163 | -0.49 | -0.25 | -0.74 | 0.33 | -0.42 |
| 2hh5 | GLY165 | -0.53 | 1.06 | 0.53 | -1.17 | -0.64 |
| 2hh5 | PHE211 | -1.01 | -1.92 | -2.93 | 2.01 | -0.92 |
