Binding information for 4wvl_ligand_4_1325.mol2(FDBF00588)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wvl_ligand_4_1325.mol2 | 4wvl | 1 | -5.80 | CC[N@H+](C)C(C)C | 7 |
Structure and binding mode of 4wvl_ligand_4_1325.mol2(FDBF00588)
Important binding residues for 4wvl_ligand_4_1325.mol2(FDBF00588)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wvl | GLY163 | 0.15 | -7.86 | -7.71 | 6.81 | -0.90 |
| 4wvl | SER164 | -0.64 | 0.34 | -0.3 | -0.17 | -0.47 |
| 4wvl | GLY165 | -0.54 | 1.20 | 0.66 | -1.32 | -0.66 |
