Binding information for 1rww_ligand_frag_0.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rww_ligand_frag_0.mol2 | 1rww | 1 | -5.91 | O=C(O)C | 4 |
Structure and binding mode of 1rww_ligand_frag_0.mol2(FDBF00004)
Important binding residues for 1rww_ligand_frag_0.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rww | ARG179 | 1.50 | -55.20 | -53.7 | 43.22 | -10.48 |
| 1rww | SER236 | -0.44 | 2.87 | 2.43 | -2.97 | -0.54 |
| 1rww | GLN283 | 0.92 | -12.74 | -11.82 | 5.60 | -6.23 |
| 1rww | ALA284 | -0.54 | -1.78 | -2.32 | 1.60 | -0.72 |
| 1rww | ARG341 | 0.81 | -45.14 | -44.33 | 37.93 | -6.40 |
