Binding information for 2hh5_ligand_2_12.mol2(FDBF00322)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hh5_ligand_2_12.mol2 | 2hh5 | 1 | -5.53 | CC[S](O)O | 5 |
Structure and binding mode of 2hh5_ligand_2_12.mol2(FDBF00322)
Important binding residues for 2hh5_ligand_2_12.mol2(FDBF00322)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hh5 | CYS25 | -0.37 | 0.70 | 0.33 | -0.88 | -0.55 |
| 2hh5 | TRP26 | -0.50 | 1.07 | 0.57 | -1.11 | -0.53 |
| 2hh5 | GLY69 | -0.61 | -4.84 | -5.45 | 4.61 | -0.84 |
| 2hh5 | MET71 | -0.55 | -0.16 | -0.71 | -0.09 | -0.80 |
| 2hh5 | GLY137 | -0.32 | 1.72 | 1.4 | -1.83 | -0.42 |
| 2hh5 | VAL162 | -0.78 | -0.68 | -1.46 | 0.87 | -0.60 |
| 2hh5 | ASN163 | -0.56 | -1.06 | -1.62 | 1.08 | -0.54 |
| 2hh5 | HIS164 | -1.20 | -0.79 | -1.99 | 1.48 | -0.52 |
| 2hh5 | GLY165 | -0.63 | 1.01 | 0.38 | -0.91 | -0.53 |
