PPIRE00940

Target Protein Information
Protein_Name Cholesteryl ester transfer protein
Protein_Sequence MLAATVLTLALLGNAHACSKGTSHEAGIVCRITKPALLVLNHETAKVIQTAFQRASYPDITGEKAMMLLGQVKYGLHNIQISHLSIASSQVELVEAKSIDVSIQNVSVVFKGTLKYGYTTAWWLGIDQSIDFEIDSAIDLQINTQLTCDSGRVRTDAPDCYLSFHKLLLHLQGEREPGWIKQLFTNFISFTLKLVLKGQICKEINVISNIMADFVQTRAASILSDGDIGVDISLTGDPVITASYLESHHKGHFIYKNVSEDLPLPTFSPTLLGDSRMLYFWFSERVFHSLAKVAFQDGRLMLSLMGDEFKAVLETWGFNTNQEIFQEVVGGFPSQAQVTVHCLKMPKISCQNKGVVVNSSVMVKFLFPRPDQQHSVAYTFEEDIVTTVQASYSKKKLFLSLLDFQITPKTVSNLTESSSESVQSFLQSMITAVGIPEVMSRLEVVFTALMNSKGVSLFDIINPEIITRDGFLLLQMDFGFPEHLLVDFLQSLS
Organism_Source Homo sapiens
Functional_Classification lipid transfer proteins
Cellular_Localization extracellular
Gene_Names CETP
UniProt_ID P11597
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SBH-peptide(AH3
Peptide_Sequence EHLLVDXLQSLS
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification X7=4-bromophenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1310.47
Aliphatic_Index 154.16667
Aromaticity 0.00000
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 -1.90889
Isoelectric_Point 4.18115
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 570.25000
X_logP_energy -5.24170
Interaction Information
Affinity KD=3.7 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational derivation of CETP self-binding helical peptides by Pi-Pi stacking and halogen bonding: Therapeutic implication for atherosclerosis.
Release_Year 2016
PMID 27611728
DOI 10.1016/j.bioorg.2016.08.012