PPIRE00447
Target Protein Information
| Protein_Name | Cyclin-dependent kinase 5 |
|---|---|
| Protein_Sequence | MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP |
| Organism_Source | Homo sapiens |
| Functional_Classification | Kinase |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CDK5 |
| UniProt_ID | Q00535 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | A5 |
|---|---|
| Peptide_Sequence | SKLXRFTGCSC |
| Peptide_Length | 11 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O |
| Chemical_Modification | X4=Purvalanol B |
| 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 | 1158.36 |
|---|---|
| Aliphatic_Index | 35.45455 |
| Aromaticity | 0.09091 |
| Average_Rotatable_Bonds | 3.45455 |
| Charge_at_pH_7 | 1.87374 |
| Isoelectric_Point | 8.82818 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 21 |
| Topological_Polar_Surface_Area | 502.93000 |
| X_logP_energy | -7.58483 |
Interaction Information
| Affinity | Ki=341 nM |
|---|---|
| Affinity_Assay | TR-FRET assay |
| PDB_ID | None |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Peptide-Assisted Enhancement of Inhibitory Effects of Small Molecular Inhibitors for Kinases |
| Release_Year | 2016 |
| PMID | None |
| DOI | 10.1246/bcsj.20150414 |