PPIRE01649
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 | scopularide?I |
|---|---|
| Peptide_Sequence | XVALV |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C |
| Chemical_Modification | X1=(24S 25S)-24-hydroxyl-25-methyllauric?acid |
| Cyclization_Method | X1<->V5, side?chain?cyclization, ester?bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 457.57 |
|---|---|
| Aliphatic_Index | 214.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.60000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 179.72000 |
| X_logP_energy | -0.65310 |
Interaction Information
| Affinity | IC50=15.6 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Cyclic Peptides from the Soft Coral-Derived Fungus Aspergillus sclerotiorum SCSIO 41031. |
| Release_Year | 2021 |
| PMID | 34940700 |
| DOI | 10.3390/md19120701 |