Binding information for 1v79_ligand_frag_2.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v79_ligand_frag_2.mol2 | 1v79 | 1 | -5.59 | C(O)C | 3 |
Structure and binding mode of 1v79_ligand_frag_2.mol2(FDBF00041)
Important binding residues for 1v79_ligand_frag_2.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v79 | ARG101 | -0.33 | -1.65 | -1.98 | 1.27 | -0.70 |
| 1v79 | TYR102 | 0.41 | -0.88 | -0.47 | -0.26 | -0.74 |
| 1v79 | SER103 | -0.65 | -0.11 | -0.76 | 0.33 | -0.43 |
| 1v79 | CYS153 | -0.64 | -0.79 | -1.43 | 0.94 | -0.48 |
| 1v79 | MET155 | -0.43 | 0.09 | -0.34 | -0.02 | -0.36 |
