PPIRE05697
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 | 2a |
|---|---|
| Peptide_Sequence | PLXST |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| Chemical_Modification | X3=N(pi)-(CH2)8Ph histidine; T5=phosphothreonine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 473.53 |
|---|---|
| Aliphatic_Index | 78.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.60000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 206.19000 |
| X_logP_energy | -3.18720 |
Interaction Information
| Affinity | IC50=150 nM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Histidine N(Tau)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors. |
| Release_Year | 2018 |
| PMID | 30174151 |
| DOI | 10.1016/j.bmcl.2018.08.018 |