Binding information for 2zn7_ligand_frag_5.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zn7_ligand_frag_5.mol2 | 2zn7 | 1 | -5.91 | CC(=O)O | 4 |
Structure and binding mode of 2zn7_ligand_frag_5.mol2(FDBF00004)
Important binding residues for 2zn7_ligand_frag_5.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zn7 | ASP181 | -0.65 | 18.00 | 17.35 | -19.26 | -1.90 |
| 2zn7 | PHE182 | -1.13 | -6.15 | -7.28 | 4.53 | -2.75 |
| 2zn7 | CYS215 | -0.34 | -5.21 | -5.55 | 4.73 | -0.82 |
| 2zn7 | ILE219 | -0.17 | -2.43 | -2.6 | 2.02 | -0.58 |
| 2zn7 | GLY220 | -0.66 | -6.97 | -7.63 | 4.86 | -2.76 |
| 2zn7 | ARG221 | -1.47 | -45.49 | -46.96 | 40.97 | -5.99 |
| 2zn7 | GLN262 | -0.58 | -3.44 | -4.02 | 3.22 | -0.79 |
| 2zn7 | GLN266 | -0.25 | 10.41 | 10.16 | -13.54 | -3.38 |
