Binding information for 2q2z_ligand_4_26.mol2(FDBF07482)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q2z_ligand_4_26.mol2 | 2q2z | 0.522388 | -6.18 | C(=O)(C)C1=NNC[C@@H]1CCC | 11 |
Structure and binding mode of 2q2z_ligand_4_26.mol2(FDBF07482)
Important binding residues for 2q2z_ligand_4_26.mol2(FDBF07482)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q2z | GLU118 | -0.80 | -0.83 | -1.63 | 1.29 | -0.34 |
| 2q2z | ARG119 | -1.06 | -3.03 | -4.09 | 3.09 | -1.00 |
| 2q2z | PRO137 | -0.48 | 0.27 | -0.21 | -0.17 | -0.38 |
| 2q2z | TYR211 | -1.29 | -2.57 | -3.86 | 3.29 | -0.58 |
| 2q2z | LEU214 | -1.46 | -0.39 | -1.85 | 0.30 | -1.55 |
| 2q2z | ALA218 | -0.43 | -0.07 | -0.5 | 0.00 | -0.50 |
