PPIRE18870
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 5g |
|---|---|
| Peptide_Sequence | HAKRK |
| Peptide_Length | 5 |
| Peptide_SMILES | C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-side chain cyclization; K5<-->C-terminus; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 638.77 |
|---|---|
| Aliphatic_Index | 20.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.60000 |
| Charge_at_pH_7 | 3.08830 |
| Isoelectric_Point | 11.82306 |
|---|---|
| Hydrogen_Bond_Acceptors | 10 |
| Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 322.34000 |
| X_logP_energy | -3.15553 |
Interaction Information
| Affinity | IC50=0.36 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 |