Binding information for 2v5x_ligand_1_0.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v5x_ligand_1_0.mol2 | 2v5x | 0.515152 | -6.07 | O(C)[C@@H]1CC[C@@H]2[NH2+][C@H](C)C[C@@H]2C1 | 12 |
Structure and binding mode of 2v5x_ligand_1_0.mol2(FDBF00706)
Important binding residues for 2v5x_ligand_1_0.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v5x | PHE207 | -0.61 | -0.03 | -0.64 | -0.04 | -0.68 |
| 2v5x | PHE208 | -1.54 | -1.15 | -2.69 | 0.67 | -2.02 |
| 2v5x | PRO209 | -0.81 | -1.20 | -2.01 | 1.42 | -0.60 |
