PPIPT00036

Target Protein Information
Protein_Name Peripheral plasma membrane protein CASK
Protein_Sequence MADDDVLFEDVYELCEVIGKGPFSVVRRCINRETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPHCVLLASKENSAPVKLGGFGVAIQLGESGLVAGGRVGTPHFMAPEVVKREPYGKPVDVWGCGVILFILLSGCLPFYGTKERLFEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLKERDRYAYKIHLPETVEQLRKFNARRKLKGAVLAAVSSHKFNSFYGDPPEELPDFSEDPTSSGLLAAERAVSQVLDSLEEIHALTDCSEKDLDFLHSVFQDQHLHTLLDLYDKINTKSSPQIRNPPSDAVQRAKEVLEEISCYPENNDAKELKRILTQPHFMALLQTHDVVAHEVYSDEALRVTPPPTSPYLNGDSPESANGDMDMENVTRVRLVQFQKNTDEPMGITLKMNELNHCIVARIMHGGMIHRQGTLHVGDEIREINGISVANQTVEQLQKMLREMRGSITFKIVPSYRTQSSSCERDSPSTSRQSPANGHSSTNNSVSDLPSTTQPKGRQIYVRAQFEYDPAKDDLIPCKEAGIRFRVGDIIQIISKDDHNWWQGKLENSKNGTAGLIPSPELQEWRVACIAMEKTKQEQQASCTWFGKKKKQYKDKYLAKHNAVFDQLDLVTYEEVVKLPAFKRKTLVLLGAHGVGRRHIKNTLITKHPDRFAYPIPHTTRPPKKDEENGKNYYFVSHDQMMQDISNNEYLEYGSHEDAMYGTKLETIRKIHEQGLIAILDVEPQALKVLRTAEFAPFVVFIAAPTITPGLNEDESLQRLQKESDILQRTYAHYFDLTIINNEIDETIRHLEEAVELVCTAPQWVPVSWVY
Organism_Source Homo sapiens
Functional_Classification Scaffold/adaptor protein (MAGUK family)
Cellular_Localization Cytoplasm
Gene_Names CASK
UniProt_ID O14936
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name K(OH)D lactam-type stapled peptide
Peptide_Sequence ARRDEYLKAIQ
Peptide_Length 11
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Chemical_Modification D4=salicylaldehyde ester; K8=5-hydroxyl lysine
Cyclization_Method Side chain-side chain cyclization; D4<->K8; amide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1362.55
Aliphatic_Index 89.09091
Aromaticity 0.09091
Average_Rotatable_Bonds 4.27273
Charge_at_pH_7 0.99905
Isoelectric_point 9.29642
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 642.06000
X_logP_energy -5.41286
Interaction Information
Affinity KD=5.9 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title STAPLED HELICAL PEPTIDES AND METHODS OF SYNTHESIS
Release_Year 2017
Patent_ID US20170152286A1