Binding information for 2viz_ligand_5_501.mol2(FDBF01193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_5_501.mol2 | 2viz | 0.611765 | -6.92 | C(=O)(NCC)c1cccc(c1)OC | 13 |
Structure and binding mode of 2viz_ligand_5_501.mol2(FDBF01193)
Important binding residues for 2viz_ligand_5_501.mol2(FDBF01193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | TYR132 | -1.21 | -1.52 | -2.73 | 1.27 | -1.46 |
| 2viz | THR133 | -1.13 | -3.44 | -4.57 | 2.81 | -1.76 |
| 2viz | GLN134 | -2.81 | -1.45 | -4.26 | 1.68 | -2.58 |
| 2viz | ILE179 | -0.34 | 0.11 | -0.23 | -0.16 | -0.38 |
| 2viz | GLY291 | -0.99 | -2.56 | -3.55 | 2.27 | -1.27 |
| 2viz | THR292 | -2.13 | -0.55 | -2.68 | 0.63 | -2.05 |
