PPIRE03003

Target Protein Information
Protein_Name Plasminogen activator inhibitor 1
Protein_Sequence MQMSPALTCLVLGLALVFGEGSAVHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIMDRPFLFVVRHNPTGTVLFMGQVMEP
Organism_Source Homo sapiens
Functional_Classification other
Cellular_Localization Extracellular
Gene_Names SERPINE1
UniProt_ID P05121
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name N-Ac-TVASS-NH2
Peptide_Sequence TVASS
Peptide_Length 5
Peptide_SMILES CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 463.49
Aliphatic_Index 78.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.60000
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 240.41000
X_logP_energy -4.62120
Interaction Information
Affinity KD=700 uM
Affinity_Assay Surface plasmon resonance
PDB_ID 1A7C
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide.
Release_Year 1998
PMID 9634700
DOI 10.1016/s0969-2126(98)00064-1