Binding information for 2feq_ligand_1_1.mol2(FDBF01310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2feq_ligand_1_1.mol2 | 2feq | 0.617021 | -5.77 | Cc1nccs1 | 6 |
Structure and binding mode of 2feq_ligand_1_1.mol2(FDBF01310)
Important binding residues for 2feq_ligand_1_1.mol2(FDBF01310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2feq | ALA190 | -0.50 | -0.71 | -1.21 | 0.60 | -0.60 |
| 2feq | CYS191 | -1.07 | 0.10 | -0.97 | 0.16 | -0.81 |
| 2feq | GLU192 | -0.73 | 0.15 | -0.58 | 0.13 | -0.45 |
| 2feq | TRP215 | -1.13 | -0.21 | -1.34 | 0.28 | -1.06 |
| 2feq | GLY216 | -1.16 | 0.66 | -0.5 | 0.11 | -0.39 |
| 2feq | GLU217 | -0.24 | -1.35 | -1.59 | 1.07 | -0.52 |
| 2feq | CYS220 | -0.38 | -0.21 | -0.59 | 0.09 | -0.51 |
