Binding information for 3gwx_ligand_4_165.mol2(FDBF00080)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gwx_ligand_4_165.mol2 | 3gwx | 1 | -6.30 | C(=C\CC=C)\CC | 7 |
Structure and binding mode of 3gwx_ligand_4_165.mol2(FDBF00080)
Important binding residues for 3gwx_ligand_4_165.mol2(FDBF00080)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gwx | PHE282 | -0.36 | 0.04 | -0.32 | -0.01 | -0.33 |
| 3gwx | CYS285 | -0.83 | -0.33 | -1.16 | 0.83 | -0.34 |
| 3gwx | LEU330 | -0.32 | 0.00 | -0.32 | -0.12 | -0.44 |
