Binding information for 2v5x_ligand_2_90.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v5x_ligand_2_90.mol2 | 2v5x | 0.642857 | -6.41 | C(C(=O)NO)C | 6 |
Structure and binding mode of 2v5x_ligand_2_90.mol2(FDBF00165)
Important binding residues for 2v5x_ligand_2_90.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v5x | PHE152 | -0.91 | -0.40 | -1.31 | 0.30 | -1.01 |
| 2v5x | ASP178 | 0.17 | 5.79 | 5.96 | -9.10 | -3.14 |
| 2v5x | HIS180 | -1.61 | 2.58 | 0.97 | -4.39 | -3.41 |
| 2v5x | ASP267 | -0.28 | 12.88 | 12.6 | -16.88 | -4.28 |
