PPIRE15234

Target Protein Information
Protein_Name Antithrombin-III
Protein_Sequence MYSNVIGTVTSGKRKVYLLSLLLIGFWDCVTCHGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK
Organism_Source Homo sapiens
Functional_Classification serine protease inhibitors
Cellular_Localization Extracellular
Gene_Names SERPINC1
UniProt_ID P01008
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name K21-A34Ext
Peptide_Sequence AXAAARKXFAKLAARLYRKA
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification X2=u-aminoisobutyric acid; X8=beta-alanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2090.51
Aliphatic_Index 79.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.55000
Charge_at_pH_7 5.99624
Isoelectric_Point 12.26643
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 900.21000
X_logP_energy -8.50849
Interaction Information
Affinity KD=18 nM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Heparin binding domain peptides of antithrombin III: analysis by isothermal titration calorimetry and circular dichroism spectroscopy
Release_Year 1994
PMID 8003980
DOI 10.1002/pro.5560030410