Binding information for 4wvl_ligand_3_340.mol2(FDBF00588)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wvl_ligand_3_340.mol2 | 4wvl | 1 | -5.85 | C(C)(C)[NH2+]CC | 6 |
Structure and binding mode of 4wvl_ligand_3_340.mol2(FDBF00588)
Important binding residues for 4wvl_ligand_3_340.mol2(FDBF00588)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wvl | GLY163 | 0.44 | -8.84 | -8.4 | 6.87 | -1.53 |
| 4wvl | SER164 | -0.60 | 0.31 | -0.29 | -0.17 | -0.45 |
| 4wvl | GLY165 | -0.45 | 1.09 | 0.64 | -1.15 | -0.52 |
