Binding information for 2g94_ligand_4_2565.mol2(FDBF02378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g94_ligand_4_2565.mol2 | 2g94 | 1 | -6.25 | C[C@H](O)[C@H](C)NC=O | 8 |
Structure and binding mode of 2g94_ligand_4_2565.mol2(FDBF02378)
Important binding residues for 2g94_ligand_4_2565.mol2(FDBF02378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g94 | GLY34 | -0.51 | -0.04 | -0.55 | -0.67 | -1.22 |
| 2g94 | TYR71 | -1.54 | -0.72 | -2.26 | 0.76 | -1.50 |
| 2g94 | THR72 | -0.98 | -1.31 | -2.29 | 1.14 | -1.15 |
| 2g94 | GLN73 | -0.79 | -0.87 | -1.66 | 0.59 | -1.07 |
| 2g94 | ILE118 | -0.26 | -0.00 | -0.26 | -0.07 | -0.33 |
| 2g94 | GLY230 | -1.10 | -2.25 | -3.35 | 1.12 | -2.23 |
| 2g94 | THR231 | -0.99 | 0.47 | -0.52 | 0.01 | -0.50 |
