PPIRE06028
Target Protein Information
| Protein_Name | Serine/threonine-protein kinase PLK1 |
|---|---|
| Protein_Sequence | MSAAVTAGKLARAPADPGKAGVPGVAAPGAPAAAPPAKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPSSLDPSNRKPLTVLNKGLENPLPERPREKEEPVVRETGEVVDCHLSDMLQQLHSVNASKPSERGLVRQEEAEDPACIPIFWVSKWVDYSDKYGLGYQLCDNSVGVLFNDSTRLILYNDGDSLQYIERDGTESYLTVSSHPNSLMKKITLLKYFRNYMSEHLLKAGANITPREGDELARLPYLRTWFRTRSAIILHLSNGSVQINFFQDHTKLILCPLMAAVTYIDEKRDFRTYRLSLLEEYGCCKELASRLRYARTMVDKLLSSRSASNRLKAS |
| Organism_Source | Homo sapiens |
| Functional_Classification | kinases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PLK1 |
| UniProt_ID | P53350 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 4a |
|---|---|
| Peptide_Sequence | PLHST |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| Chemical_Modification | X3=N(p)-(CH2)8Ph;X3=N(s)-allyl;T5=phosphorylation |
| Cyclization_Method | Main chain-side chain cyclization;L1<->X3;other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Butanoyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 553.62 |
|---|---|
| Aliphatic_Index | 78.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.08889 |
| Isoelectric_Point | 7.55032 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 234.87000 |
| X_logP_energy | -2.85280 |
Interaction Information
| Affinity | IC50=1.8 uM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Neighbor-directed histidine N (Tau)-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. |
| Release_Year | 2015 |
| PMID | 26152807 |
| DOI | 10.1002/bip.22698 |