Binding information for 2zy1_ligand_4_35.mol2(FDBF00197)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zy1_ligand_4_35.mol2 | 2zy1 | 0.911765 | -7.03 | c1(cc(ccc1)CCC)O | 10 |
Structure and binding mode of 2zy1_ligand_4_35.mol2(FDBF00197)
Important binding residues for 2zy1_ligand_4_35.mol2(FDBF00197)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zy1 | PHE22 | -1.79 | 0.01 | -1.78 | 0.69 | -1.09 |
| 2zy1 | ALA134 | -0.81 | 0.27 | -0.54 | -0.36 | -0.89 |
| 2zy1 | VAL137 | -0.86 | -0.16 | -1.02 | -0.23 | -1.25 |
| 2zy1 | GLY161 | -0.51 | -0.44 | -0.95 | 0.42 | -0.52 |
| 2zy1 | LEU164 | -1.66 | 0.14 | -1.52 | -0.18 | -1.70 |
| 2zy1 | ASN168 | -0.71 | 0.08 | -0.63 | 0.32 | -0.32 |
