Binding information for 4pow_ligand_frag_0.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pow_ligand_frag_0.mol2 | 4pow | 1 | -5.90 | CC(=O)O | 4 |
Structure and binding mode of 4pow_ligand_frag_0.mol2(FDBF00004)
Important binding residues for 4pow_ligand_frag_0.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4pow | MET96 | -0.41 | -5.22 | -5.63 | 3.56 | -2.08 |
| 4pow | GLY97 | -0.03 | -3.94 | -3.97 | 1.56 | -2.41 |
| 4pow | ARG102 | 1.75 | -42.01 | -40.26 | 27.58 | -12.68 |
| 4pow | THR168 | -0.83 | -8.64 | -9.47 | 4.87 | -4.59 |
| 4pow | SER169 | -0.10 | -11.68 | -11.78 | 10.09 | -1.69 |
