Binding information for 2fgi_ligand_2_77.mol2(FDBF00296)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fgi_ligand_2_77.mol2 | 2fgi | 1 | -6.57 | c1ccc(cc1OC)OC | 10 |
Structure and binding mode of 2fgi_ligand_2_77.mol2(FDBF00296)
Important binding residues for 2fgi_ligand_2_77.mol2(FDBF00296)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fgi | VAL492 | -0.53 | 0.00 | -0.53 | -0.11 | -0.63 |
| 2fgi | ILE545 | -1.53 | -0.68 | -2.21 | 0.83 | -1.38 |
| 2fgi | VAL559 | -0.66 | 0.37 | -0.29 | -0.13 | -0.42 |
| 2fgi | VAL561 | -0.82 | -0.20 | -1.02 | -0.14 | -1.16 |
| 2fgi | ALA640 | -0.88 | -0.83 | -1.71 | 0.27 | -1.44 |
| 2fgi | PHE642 | -0.65 | 0.01 | -0.64 | 0.24 | -0.39 |
