Binding information for 1fyr_ligand_frag_13.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fyr_ligand_frag_13.mol2 | 1fyr | 1 | -5.41 | C(=O)N | 3 |
Structure and binding mode of 1fyr_ligand_frag_13.mol2(FDBF00003)
Important binding residues for 1fyr_ligand_frag_13.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fyr | PHE108 | -0.91 | -1.60 | -2.51 | 0.91 | -1.60 |
| 1fyr | LYS109 | 0.37 | -6.65 | -6.28 | 4.10 | -2.18 |
| 1fyr | LEU111 | -0.42 | -0.82 | -1.24 | 0.91 | -0.33 |
| 1fyr | LEU120 | 0.14 | -3.35 | -3.21 | 2.47 | -0.75 |
| 1fyr | TRP121 | -0.45 | -0.77 | -1.22 | 0.63 | -0.58 |
