Binding information for 2g94_ligand_2_143.mol2(FDBF03967)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g94_ligand_2_143.mol2 | 2g94 | 1 | -6.23 | C(C(C)C)NC=O | 7 |
Structure and binding mode of 2g94_ligand_2_143.mol2(FDBF03967)
Important binding residues for 2g94_ligand_2_143.mol2(FDBF03967)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g94 | GLY34 | -0.58 | -2.36 | -2.94 | 2.19 | -0.74 |
| 2g94 | SER35 | -0.95 | 0.23 | -0.72 | -0.03 | -0.75 |
| 2g94 | VAL69 | -0.20 | 0.11 | -0.09 | -0.27 | -0.36 |
| 2g94 | TYR71 | -1.50 | -2.55 | -4.05 | 1.32 | -2.73 |
| 2g94 | THR72 | -0.06 | -1.34 | -1.4 | 0.76 | -0.64 |
| 2g94 | ILE126 | -0.86 | -0.10 | -0.96 | 0.58 | -0.38 |
