Binding information for 2vaq_ligand_1_4.mol2(FDBF07479)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vaq_ligand_1_4.mol2 | 2vaq | 0.275591 | -6.02 | C[C@H]1CC[O]=C/C/1=C(\O)/OC | 11 |
Structure and binding mode of 2vaq_ligand_1_4.mol2(FDBF07479)
Important binding residues for 2vaq_ligand_1_4.mol2(FDBF07479)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vaq | TYR151 | -0.44 | -0.24 | -0.68 | 0.21 | -0.47 |
| 2vaq | VAL176 | -1.36 | -0.28 | -1.64 | 0.16 | -1.49 |
| 2vaq | MET276 | -0.61 | 0.11 | -0.5 | -0.02 | -0.52 |
| 2vaq | HIS307 | -1.03 | -0.25 | -1.28 | 0.49 | -0.79 |
| 2vaq | LEU323 | -1.10 | 0.12 | -0.98 | -0.10 | -1.08 |
| 2vaq | PHE324 | -0.81 | 0.04 | -0.77 | 0.11 | -0.66 |
