Binding information for 4ps0_ligand_frag_15.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ps0_ligand_frag_15.mol2 | 4ps0 | 1 | -5.98 | CC(=O)O | 4 |
Structure and binding mode of 4ps0_ligand_frag_15.mol2(FDBF00004)
Important binding residues for 4ps0_ligand_frag_15.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ps0 | ARG64 | -0.09 | -53.18 | -53.27 | 43.29 | -9.97 |
| 4ps0 | SER120 | -0.53 | 2.95 | 2.42 | -2.96 | -0.54 |
| 4ps0 | GLN161 | -0.17 | -11.66 | -11.83 | 6.11 | -5.72 |
| 4ps0 | ALA162 | -0.52 | -1.76 | -2.28 | 1.66 | -0.62 |
| 4ps0 | SER205 | -0.54 | -0.87 | -1.41 | 1.04 | -0.37 |
| 4ps0 | ARG207 | -0.44 | -50.97 | -51.41 | 42.35 | -9.06 |
