Binding information for 2q2z_ligand_3_19.mol2(FDBF07482)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q2z_ligand_3_19.mol2 | 2q2z | 0.555556 | -6.21 | C(=O)(C)C1=NNC[C@@H]1CC | 10 |
Structure and binding mode of 2q2z_ligand_3_19.mol2(FDBF07482)
Important binding residues for 2q2z_ligand_3_19.mol2(FDBF07482)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q2z | ARG119 | -1.01 | -3.04 | -4.05 | 3.07 | -0.97 |
| 2q2z | PRO137 | -0.47 | 0.28 | -0.19 | -0.18 | -0.38 |
| 2q2z | TYR211 | -1.28 | -2.57 | -3.85 | 3.27 | -0.58 |
| 2q2z | LEU214 | -1.45 | -0.39 | -1.84 | 0.30 | -1.55 |
| 2q2z | ALA218 | -0.40 | -0.07 | -0.47 | 0.01 | -0.45 |
