Binding information for 2rf2_ligand_frag_1.mol2(FDBF02042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rf2_ligand_frag_1.mol2 | 2rf2 | 1 | -6.29 | [S](O)(O)N1CCCC1 | 8 |
Structure and binding mode of 2rf2_ligand_frag_1.mol2(FDBF02042)
Important binding residues for 2rf2_ligand_frag_1.mol2(FDBF02042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rf2 | PRO95 | -0.56 | 0.81 | 0.25 | -0.66 | -0.41 |
| 2rf2 | VAL106 | -0.35 | 1.39 | 1.04 | -1.47 | -0.43 |
| 2rf2 | VAL179 | -0.75 | 0.57 | -0.18 | -0.63 | -0.81 |
| 2rf2 | ILE180 | -0.24 | 0.02 | -0.22 | -0.41 | -0.64 |
| 2rf2 | TYR181 | -2.35 | -0.89 | -3.24 | 0.91 | -2.33 |
| 2rf2 | TYR188 | -0.92 | -0.18 | -1.1 | 0.19 | -0.91 |
| 2rf2 | TRP229 | -1.37 | -2.01 | -3.38 | 2.27 | -1.11 |
| 2rf2 | LEU234 | -0.62 | 0.60 | -0.02 | -0.62 | -0.64 |
