Binding information for 2za0_ligand_frag_2.mol2(FDBF00196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2za0_ligand_frag_2.mol2 | 2za0 | 1 | -7.26 | c1cc(cc(c1O)O)C | 9 |
Structure and binding mode of 2za0_ligand_frag_2.mol2(FDBF00196)
Important binding residues for 2za0_ligand_frag_2.mol2(FDBF00196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2za0 | MET158 | -0.65 | -0.05 | -0.7 | 0.05 | -0.66 |
| 2za0 | LEU161 | -0.99 | 0.19 | -0.8 | 0.06 | -0.75 |
| 2za0 | PHE163 | -0.33 | 0.09 | -0.24 | -0.17 | -0.41 |
| 2za0 | GLU173 | 2.28 | -5.00 | -2.72 | -1.64 | -4.36 |
| 2za0 | ILE180 | -0.74 | -0.03 | -0.77 | 0.04 | -0.73 |
| 2za0 | GLN34 | -0.53 | 0.48 | -0.05 | -3.55 | -3.59 |
| 2za0 | PHE63 | -0.69 | -0.26 | -0.95 | 0.59 | -0.36 |
| 2za0 | LEU70 | -0.91 | 0.07 | -0.84 | 0.12 | -0.73 |
| 2za0 | PHE72 | -0.53 | -0.14 | -0.67 | 0.23 | -0.43 |
| 2za0 | PHE93 | -0.69 | -0.40 | -1.09 | 0.60 | -0.49 |
| 2za0 | GLU100 | 2.57 | -6.31 | -3.74 | -4.37 | -8.12 |
