Binding information for 1q7a_ligand_1_4.mol2(FDBF03022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q7a_ligand_1_4.mol2 | 1q7a | 0.263158 | -5.80 | C[C@H]1C(=O)N=NC1=O | 8 |
Structure and binding mode of 1q7a_ligand_1_4.mol2(FDBF03022)
Important binding residues for 1q7a_ligand_1_4.mol2(FDBF03022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q7a | LEU2 | -0.90 | -0.09 | -0.99 | 0.12 | -0.87 |
| 1q7a | SER22 | -0.48 | -0.29 | -0.77 | 0.26 | -0.50 |
| 1q7a | GLY29 | -0.97 | -0.42 | -1.39 | 0.63 | -0.76 |
