PPIRE13205

Target Protein Information
Protein_Name Tissue factor pathway inhibitor
Protein_Sequence MIYTMKKVHALWASVCLLLNLAPAPLNADSEEDEEHTIITDTELPPLKLMHSFCAFKADDGPCKAIMKRFFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRDNANRIIKTTLQQEKPDFCFLEEDPGICRGYITRYFYNNQTKQCERFKYGGCLGNMNNFETLEECKNICEDGPNGFQVDNYGTQLNAVNNSLTPQSTKVPSLFEFHGPSWCLTPADRGLCRANENRFYYNSVIGKCRPFKYSGCGGNENNFTSKQECLRACKKGFIQRISKGGLIKTKRKRKKQRVKIAYEEIFVKNM
Organism_Source Homo sapiens
Functional_Classification Kunitz-type protease inhibitor
Cellular_Localization Extracellular
Gene_Names TFPI
UniProt_ID P10646
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 3
Peptide_Sequence FQSKpNVHVDGYFERLXAKL
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)O
Chemical_Modification X17=alpha-aminoisobutyric acid
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2305.62
Aliphatic_Index 73.00000
Aromaticity 0.15000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 1.08967
Isoelectric_Point 9.25769
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 951.29000
X_logP_energy -7.80393
Interaction Information
Affinity KD=0.5 nM
Affinity_Assay Surface plasmon resonance
PDB_ID 4BQD
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Small peptides blocking inhibition of factor Xa and tissue factor-factor VIIa by tissue factor pathway inhibitor (TFPI).
Release_Year 2014
PMID 24275667
DOI 10.1074/jbc.M113.533836