PPIRE15124

Target Protein Information
Protein_Name Plasminogen activator inhibitor 1
Protein_Sequence MQMSPALTCLVLGLALVFGEGSAVHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIMDRPFLFVVRHNPTGTVLFMGQVMEP
Organism_Source Homo sapiens
Functional_Classification serine protease inhibitor
Cellular_Localization Extracellular
Gene_Names SERPINE1
UniProt_ID P05121
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name paionin-4
Peptide_Sequence CAASCLRECTFRCGADGACRRKCDMYCLKVC
Peptide_Length 31
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C1<-->C32; C5<-->C27; C9<-->C23; C13<-->C19; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3437.12
Aliphatic_Index 47.41935
Aromaticity 0.06452
Average_Rotatable_Bonds 3.67742
Charge_at_pH_7 2.50340
Isoelectric_Point 8.20583
Number_of_Hydrogen_Bond_Acceptors 53
Number_of_Hydrogen_Bond_Donors 60
Topological_Polar_Surface_Area 1408.55000
X_logP_energy -17.08622
Interaction Information
Affinity KD=448 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title A Peptide Accelerating the Conversion of Plasminogen Activator Inhibitor-1 to an Inactive Latent State
Release_Year 2008
PMID 18559377
DOI 10.1124/mol.108.046417