PPIRE11842
Target Protein Information
| Protein_Name | 3-phosphoinositide-dependent protein kinase 1 |
|---|---|
| Protein_Sequence | MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPAMDGTAAEPRPGAGSLQHAQPPPQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLTAYLPAMSEDDEDCYGNYDNLLSQFGCMQVSSSSSSHSLSASDTGLPQRSGSNIEQYIHDLDSNSFELDLQFSEDEKRLLLEKQAGGNPWHQFVENNLILKMGPVDKRKGLFARRRQLLLTEGPHLYYVDPVNKVLKGEIPWSQELRPEAKNFKTFFVHTPNRTYYLMDPSGNAHKWCRKIQEVWRQRYQSHPDAAVQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | kinases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PDPK1 |
| UniProt_ID | O15530 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | delta8-PIFtide |
|---|---|
| Peptide_Sequence | EEQEMFRDFDYIADW |
| Peptide_Length | 15 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | None |
| 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 | 1994.12 |
|---|---|
| Aliphatic_Index | 32.66667 |
| Aromaticity | 0.26667 |
| Average_Rotatable_Bonds | 4.26667 |
| Charge_at_pH_7 | -4.99620 |
| Isoelectric_Point | 3.53218 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 26 |
| Number_of_Hydrogen_Bond_Donors | 28 |
| Topological_Polar_Surface_Area | 835.53000 |
| X_logP_energy | -4.29043 |
Interaction Information
| Affinity | KD=2 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | 4RRV |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. |
| Release_Year | 2014 |
| PMID | 25518860 |
| DOI | 10.1073/pnas.1415365112 |