Binding information for 2viz_ligand_4_227.mol2(FDBF01194)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_4_227.mol2 | 2viz | 0.550562 | -6.58 | C(=O)(NC)c1cccc(c1)OC | 12 |
Structure and binding mode of 2viz_ligand_4_227.mol2(FDBF01194)
Important binding residues for 2viz_ligand_4_227.mol2(FDBF01194)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | TYR132 | -1.08 | -1.59 | -2.67 | 1.12 | -1.54 |
| 2viz | THR133 | -1.11 | -3.46 | -4.57 | 2.82 | -1.75 |
| 2viz | GLN134 | -2.76 | -1.48 | -4.24 | 1.64 | -2.59 |
| 2viz | GLY291 | -0.75 | -2.64 | -3.39 | 2.29 | -1.11 |
| 2viz | THR292 | -2.08 | -0.57 | -2.65 | 0.61 | -2.04 |
