PPIRE07481

Target Protein Information
Protein_Name Neutrophil elastase
Protein_Sequence MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names ELANE
UniProt_ID P08246
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name FR901277
Peptide_Sequence XTXXFXV
Peptide_Length 7
Peptide_SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)O
Chemical_Modification X1=L-ornithine; X3=dehydroxythreonine; X4=hydroxypiperidine-2-carboxylic acid; X6=3,4-dihydroxyphenylalanine
Cyclization_Method Multi-point cyclization; N1<->C7; amide bond; X1<->X6; other bond
Linear/Cyclic Cyclic
N-terminal_Modification Isopropyl Carbonyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 593.64
Aliphatic_Index 41.42857
Aromaticity 0.14286
Average_Rotatable_Bonds 2.42857
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Number_of_Hydrogen_Bond_Acceptors 9
Number_of_Hydrogen_Bond_Donors 9
Topological_Polar_Surface_Area 258.15000
X_logP_energy -3.88780
Interaction Information
Affinity IC50=0.18 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Influence of prosthetic radioiodination on the chemical and biological behavior of chemotactic peptides labeled at high specific activity.
Release_Year 2000
PMID None
DOI 10.1002/1097-0282(20000215)53:3=434::AID-BIP16=3.0.CO;2-T