Binding information for 2g94_ligand_5_5632.mol2(FDBF02783)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g94_ligand_5_5632.mol2 | 2g94 | 1 | -6.24 | C[C@H](O)CNC(=O)CC | 9 |
Structure and binding mode of 2g94_ligand_5_5632.mol2(FDBF02783)
Important binding residues for 2g94_ligand_5_5632.mol2(FDBF02783)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g94 | GLY34 | -0.49 | 0.01 | -0.48 | -0.62 | -1.10 |
| 2g94 | TYR71 | -1.35 | -0.85 | -2.2 | 0.76 | -1.44 |
| 2g94 | THR72 | -1.38 | -1.39 | -2.77 | 1.34 | -1.43 |
| 2g94 | GLN73 | -0.63 | -0.81 | -1.44 | 0.71 | -0.73 |
| 2g94 | GLY230 | -1.01 | -2.32 | -3.33 | 1.08 | -2.24 |
| 2g94 | THR231 | -1.39 | 0.43 | -0.96 | 0.23 | -0.74 |
