Binding information for 2g1q_ligand_1_2.mol2(FDBF02647)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g1q_ligand_1_2.mol2 | 2g1q | 0.563636 | -6.01 | C1NN([C@H](C1)C)C(=O)N | 9 |
Structure and binding mode of 2g1q_ligand_1_2.mol2(FDBF02647)
Important binding residues for 2g1q_ligand_1_2.mol2(FDBF02647)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g1q | GLU118 | -0.52 | 0.15 | -0.37 | 0.06 | -0.31 |
| 2g1q | ARG119 | -0.94 | -5.12 | -6.06 | 4.69 | -1.37 |
| 2g1q | PRO137 | -0.44 | 0.07 | -0.37 | -0.01 | -0.38 |
| 2g1q | TYR211 | -0.87 | 0.04 | -0.83 | 0.34 | -0.50 |
| 2g1q | LEU214 | -1.27 | -0.81 | -2.08 | 0.66 | -1.42 |
| 2g1q | ALA218 | -0.46 | 0.36 | -0.1 | -0.46 | -0.56 |
