PPIRE12640

Target Protein Information
Protein_Name Phospholipase A2, membrane associated
Protein_Sequence MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDATDRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFARNKTTYNKKYQYYSNKHCRGSTPRC
Organism_Source Homo sapiens
Functional_Classification phospholipases
Cellular_Localization Extracellular
Gene_Names PLA2G2A
UniProt_ID P14555
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name peptide 1(PIP-17)
Peptide_Sequence LGRVDIHVWDGVYIRGR
Peptide_Length 17
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2011.32
Aliphatic_Index 120.00000
Aromaticity 0.11765
Average_Rotatable_Bonds 3.76471
Charge_at_pH_7 1.08893
Isoelectric_Point 9.34883
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 853.92000
X_logP_energy -5.46709
Interaction Information
Affinity IC50=5.3 uM
Affinity_Assay 1H NMR spectroscopy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Novel peptide inhibitors of human secretory phospholipase A2 with antiinflammatory activity: solution structure and molecular modeling.
Release_Year 2007
PMID 17973469
DOI 10.1021/jm070385x