PPIRE02300
Target Protein Information
| Protein_Name | Acetylcholinesterase |
|---|---|
| Protein_Sequence | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Extracellular |
| Gene_Names | ACHE |
| UniProt_ID | P22303 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 2 |
|---|---|
| Peptide_Sequence | PRWG |
| Peptide_Length | 4 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 514.58 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.25000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 214.32000 |
| X_logP_energy | -1.10393 |
Interaction Information
| Affinity | IC50=23 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Interaction between glyphosate pesticide and amphiphilic peptides for colorimetric analysis. |
| Release_Year | 2022 |
| PMID | 36134354 |
| DOI | 10.1039/d2na00345g |