PPIRE18539

Target Protein Information
Protein_Name Alpha-1-syntrophin
Protein_Sequence MASGRRAPRTGLLELRAGAGSGAGGERWQRVLLSLAEDVLTVSPADGDPGPEPGAPREQEPAQLNGAAEPGAGPPQLPEALLLQRRRVTVRKADAGGLGISIKGGRENKMPILISKIFKGLAADQTEALFVGDAILSVNGEDLSSATHDEAVQVLKKTGKEVVLEVKYMKDVSPYFKNSTGGTSVGWDSPPASPLQRQPSSPGPTPRNFSEAKHMSLKMAYVSKRCTPNDPEPRYLEICSADGQDTLFLRAKDEASARSWATAIQAQVNTLTPRVKDELQALLAATSTAGSQDIKQIGWLTEQLPSGGTAPTLALLTEKELLLYLSLPETREALSRPARTAPLIATRLVHSGPSKGSVPYDAELSFALRTGTRHGVDTHLFSVESPQELAAWTRQLVDGCHRAAEGVQEVSTACTWNGRPCSLSVHIDKGFTLWAAEPGAARAVLLRQPFEKLQMSSDDGASLLFLDFGGAEGEIQLDLHSCPKTIVFIIHSFLSAKVTRLGLLA
Organism_Source Homo sapiens
Functional_Classification PDZ domain containing scaffold proteins
Cellular_Localization Plasma membrane
Gene_Names SNTA1
UniProt_ID Q13424
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Cyc23
Peptide_Sequence DGTPKTIRVTQpGTTHLETTFTG
Peptide_Length 23
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C
Chemical_Modification p12=D-Proline
Cyclization_Method Main chain-main chain cyclization; D1<-->G23; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2458.71
Aliphatic_Index 46.52174
Aromaticity 0.04348
Average_Rotatable_Bonds 3.30435
Charge_at_pH_7 0.09082
Isoelectric_Point 7.55034
Hydrogen_Bond_Acceptors 38
Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1082.07000
X_logP_energy -15.02913
Interaction Information
Affinity KD=4.3 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design synthesis structure and binding properties of PDZ binding cyclic b-finger peptides
Release_Year 2010
PMID 20394733
DOI 10.1016/j.bbrc.2010.04.060