Binding information for 3gfe_ligand_frag_2.mol2(FDBF00259)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gfe_ligand_frag_2.mol2 | 3gfe | 1 | -6.06 | C1CC1 | 3 |
Structure and binding mode of 3gfe_ligand_frag_2.mol2(FDBF00259)
Important binding residues for 3gfe_ligand_frag_2.mol2(FDBF00259)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gfe | LEU74 | -0.56 | 0.00 | -0.56 | -0.09 | -0.64 |
| 3gfe | PHE169 | -1.30 | -0.04 | -1.34 | 0.84 | -0.51 |
