Binding information for 2vaq_ligand_frag_5.mol2(FDBF07479)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vaq_ligand_frag_5.mol2 | 2vaq | 0.269841 | -5.71 | C1CC[O]=C/C/1=C(\O)/OC | 10 |
Structure and binding mode of 2vaq_ligand_frag_5.mol2(FDBF07479)
Important binding residues for 2vaq_ligand_frag_5.mol2(FDBF07479)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vaq | TYR151 | -0.41 | -0.25 | -0.66 | 0.24 | -0.41 |
| 2vaq | VAL176 | -1.34 | -0.28 | -1.62 | 0.16 | -1.45 |
| 2vaq | MET276 | -0.56 | 0.11 | -0.45 | -0.02 | -0.48 |
| 2vaq | HIS307 | -0.70 | -0.27 | -0.97 | 0.47 | -0.51 |
| 2vaq | LEU323 | -0.91 | 0.12 | -0.79 | -0.11 | -0.90 |
| 2vaq | PHE324 | -0.62 | 0.03 | -0.59 | 0.04 | -0.55 |
