Binding information for 2q2z_ligand_2_7.mol2(FDBF07482)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q2z_ligand_2_7.mol2 | 2q2z | 0.614035 | -6.22 | C(=O)(C)C1=NNC[C@@H]1C | 9 |
Structure and binding mode of 2q2z_ligand_2_7.mol2(FDBF07482)
Important binding residues for 2q2z_ligand_2_7.mol2(FDBF07482)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q2z | ARG119 | -0.95 | -3.09 | -4.04 | 3.08 | -0.96 |
| 2q2z | PRO137 | -0.46 | 0.27 | -0.19 | -0.18 | -0.37 |
| 2q2z | TYR211 | -1.26 | -2.59 | -3.85 | 3.26 | -0.59 |
| 2q2z | LEU214 | -1.44 | -0.38 | -1.82 | 0.30 | -1.52 |
| 2q2z | ALA218 | -0.34 | -0.06 | -0.4 | 0.03 | -0.37 |
