PPIRE18136

Target Protein Information
Protein_Name Phosphatidylethanolamine-binding protein 1
Protein_Sequence MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSGTVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSGK
Organism_Source Homo sapiens
Functional_Classification kinase inhibitors
Cellular_Localization Cytoplasm
Gene_Names PEBP1
UniProt_ID P30086
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Raf-1 peptide (tri-phosphorylated)
Peptide_Sequence RPRGQRDSSYYWEIEASEV
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C
Chemical_Modification S8=phosphoserine; S9=phosphoserine; Y11=phosphotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2328.48
Aliphatic_Index 41.05263
Aromaticity 0.15789
Average_Rotatable_Bonds 3.89474
Charge_at_pH_7 -0.99795
Isoelectric_Point 4.58762
Hydrogen_Bond_Acceptors 33
Hydrogen_Bond_Donors 39
Topological_Polar_Surface_Area 1073.26000
X_logP_energy -11.29379
Interaction Information
Affinity KD=116 uM
Affinity_Assay native mass spectrometry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Ligand Binding Study of Human PEBP1/RKIP: Interaction with Nucleotides and Raf-1 Peptides Evidenced by NMR and Mass Spectrometry
Release_Year 2012
PMID 22558375
DOI 10.1371/journal.pone.0036187