Binding information for 223l_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 223l_ligand_frag_0.mol2 | 223l | 1 | -6.92 | c1ccccc1 | 6 |
Structure and binding mode of 223l_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 223l_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 223l | PHE114 | -0.66 | -0.11 | -0.77 | 0.44 | -0.33 |
| 223l | SER117 | -0.90 | -0.26 | -1.16 | 0.44 | -0.73 |
| 223l | LEU118 | -0.47 | 0.02 | -0.45 | 0.04 | -0.42 |
| 223l | LEU121 | -0.67 | 0.01 | -0.66 | -0.01 | -0.67 |
| 223l | ALA130 | -0.41 | 0.08 | -0.33 | 0.02 | -0.31 |
| 223l | GLY133 | -0.53 | -0.28 | -0.81 | 0.17 | -0.63 |
| 223l | PHE153 | -1.35 | 0.27 | -1.08 | 0.24 | -0.84 |
