Binding information for 2hzl_ligand_frag_0.mol2(FDBF03150)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hzl_ligand_frag_0.mol2 | 2hzl | 1 | -6.42 | C(=O)(O)[C@@H](O)C | 6 |
Structure and binding mode of 2hzl_ligand_frag_0.mol2(FDBF03150)
Important binding residues for 2hzl_ligand_frag_0.mol2(FDBF03150)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hzl | PHE40 | -0.37 | -1.18 | -1.55 | 1.24 | -0.31 |
| 2hzl | TYR100 | 0.92 | 6.60 | 7.52 | -8.21 | -0.70 |
| 2hzl | GLN156 | 0.32 | -20.91 | -20.59 | 17.06 | -3.53 |
| 2hzl | ARG177 | 1.30 | -65.47 | -64.17 | 53.30 | -10.87 |
| 2hzl | VAL178 | -0.10 | -1.63 | -1.73 | 1.10 | -0.62 |
| 2hzl | GLY179 | -0.42 | -2.80 | -3.22 | 2.28 | -0.94 |
| 2hzl | VAL216 | -0.76 | 0.11 | -0.65 | -0.17 | -0.81 |
| 2hzl | TRP239 | -0.07 | -16.50 | -16.57 | 16.21 | -0.36 |
| 2hzl | PRO243 | -0.13 | -19.08 | -19.21 | 18.58 | -0.62 |
