Binding information for 4ps0_ligand_2_102.mol2(FDBF07661)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ps0_ligand_2_102.mol2 | 4ps0 | 0.863636 | -5.42 | C(/N=C\O)C(=O)C | 7 |
Structure and binding mode of 4ps0_ligand_2_102.mol2(FDBF07661)
Important binding residues for 4ps0_ligand_2_102.mol2(FDBF07661)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ps0 | HIS121 | -1.28 | -3.80 | -5.08 | 2.20 | -2.88 |
| 4ps0 | GLY122 | -0.31 | -0.85 | -1.16 | 0.45 | -0.72 |
| 4ps0 | ALA162 | -0.46 | -1.12 | -1.58 | 0.64 | -0.95 |
| 4ps0 | TYR204 | -0.45 | -0.05 | -0.5 | -0.08 | -0.59 |
