Binding information for 2q2z_ligand_1_0.mol2(FDBF05055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q2z_ligand_1_0.mol2 | 2q2z | 0.418803 | -7.23 | N1(NCCC1)c1cc(ccc1F)C | 13 |
Structure and binding mode of 2q2z_ligand_1_0.mol2(FDBF05055)
Important binding residues for 2q2z_ligand_1_0.mol2(FDBF05055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q2z | ILE136 | 0.01 | -0.21 | -0.2 | -0.11 | -0.31 |
| 2q2z | PRO137 | -0.74 | -0.08 | -0.82 | 0.22 | -0.61 |
| 2q2z | LEU160 | -0.51 | -0.12 | -0.63 | 0.23 | -0.40 |
| 2q2z | ILE213 | -0.17 | -0.28 | -0.45 | 0.09 | -0.36 |
| 2q2z | LEU214 | -2.66 | -1.65 | -4.31 | 0.70 | -3.60 |
| 2q2z | ALA218 | -0.68 | 0.02 | -0.66 | -0.22 | -0.89 |
| 2q2z | ARG221 | -1.33 | -0.09 | -1.42 | -0.10 | -1.53 |
| 2q2z | PHE239 | -0.74 | 0.32 | -0.42 | 0.09 | -0.33 |
