PPIRE18866
Target Protein Information
| Protein_Name | Cyclin-dependent kinase 2 |
|---|---|
| Protein_Sequence | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine threonine kinases |
| Cellular_Localization | Nucleus |
| Gene_Names | CDK2 |
| UniProt_ID | P24941 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 5c |
|---|---|
| Peptide_Sequence | AAXRX |
| Peptide_Length | 5 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O |
| Chemical_Modification | X3=2-aminobutyric acid; X5=2-4-diaminobutanoic acid |
| Cyclization_Method | Main chain-side chain cyclization; (A2bu)5<-->C-terminus; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 430.46 |
|---|---|
| Aliphatic_Index | 40.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.60000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Hydrogen_Bond_Acceptors | 7 |
| Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 241.62000 |
| X_logP_energy | -4.09663 |
Interaction Information
| Affinity | IC50=250 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design synthesis biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes |
| Release_Year | 2004 |
| PMID | 15455144 |
| DOI | 10.1039/B409157D |