Binding information for 4oyg_ligand_frag_1.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oyg_ligand_frag_1.mol2 | 4oyg | 1 | -5.93 | CC(=O)O | 4 |
Structure and binding mode of 4oyg_ligand_frag_1.mol2(FDBF00004)
Important binding residues for 4oyg_ligand_frag_1.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oyg | ARG276 | -0.15 | -17.10 | -17.25 | 16.86 | -0.40 |
| 4oyg | GLY313 | -0.05 | -0.61 | -0.66 | 0.27 | -0.38 |
| 4oyg | THR314 | 0.75 | -10.38 | -9.63 | 7.41 | -2.22 |
| 4oyg | THR352 | -0.56 | -24.49 | -25.05 | 24.08 | -0.97 |
| 4oyg | PRO356 | -0.26 | -1.60 | -1.86 | 0.87 | -0.99 |
| 4oyg | GLY357 | -0.55 | -5.13 | -5.68 | 2.88 | -2.80 |
| 4oyg | ALA358 | -0.61 | -3.55 | -4.16 | 2.38 | -1.77 |
| 4oyg | GLY359 | 0.11 | -9.11 | -9 | 4.77 | -4.23 |
| 4oyg | LEU393 | -0.03 | -19.01 | -19.04 | 18.57 | -0.47 |
| 4oyg | ALA397 | -0.24 | -2.03 | -2.27 | 1.42 | -0.84 |
| 4oyg | ASN401 | -0.28 | -4.09 | -4.37 | 3.58 | -0.78 |
