Binding information for 1mzs_ligand_2_27.mol2(FDBF03834)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mzs_ligand_2_27.mol2 | 1mzs | 1 | -7.08 | C(O)c1c(Cl)cccc1Cl | 10 |
Structure and binding mode of 1mzs_ligand_2_27.mol2(FDBF03834)
Important binding residues for 1mzs_ligand_2_27.mol2(FDBF03834)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mzs | LEU189 | -0.79 | 0.00 | -0.79 | -0.03 | -0.82 |
| 1mzs | MET207 | -0.85 | 0.01 | -0.84 | 0.09 | -0.75 |
| 1mzs | GLY209 | -0.39 | -0.07 | -0.46 | 0.11 | -0.34 |
| 1mzs | VAL212 | -1.62 | 0.04 | -1.58 | -0.15 | -1.73 |
| 1mzs | PHE213 | -0.90 | -0.25 | -1.15 | 0.30 | -0.85 |
| 1mzs | ALA216 | -0.61 | -0.15 | -0.76 | 0.10 | -0.65 |
| 1mzs | ALA246 | -1.23 | -0.14 | -1.37 | -0.09 | -1.47 |
| 1mzs | ASN247 | -0.81 | -1.69 | -2.5 | 1.14 | -1.36 |
| 1mzs | ILE250 | -0.66 | -0.22 | -0.88 | 0.16 | -0.72 |
