Binding information for 2ql9_ligand_frag_14.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ql9_ligand_frag_14.mol2 | 2ql9 | 1 | -5.93 | CC(=O)O | 4 |
Structure and binding mode of 2ql9_ligand_frag_14.mol2(FDBF00004)
Important binding residues for 2ql9_ligand_frag_14.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ql9 | ARG87 | -0.01 | -52.40 | -52.41 | 42.99 | -9.41 |
| 2ql9 | SER143 | -0.47 | 2.70 | 2.23 | -2.84 | -0.61 |
| 2ql9 | GLN184 | -0.56 | -31.23 | -31.79 | 27.78 | -4.00 |
| 2ql9 | ALA185 | -0.45 | -1.68 | -2.13 | 1.56 | -0.57 |
| 2ql9 | ARG233 | -0.45 | -51.98 | -52.43 | 43.00 | -9.43 |
| 2ql9 | SER239 | -0.12 | -2.56 | -2.68 | 2.32 | -0.36 |
