PPIRE09758

Target Protein Information
Protein_Name Urokinase-type plasminogen activator
Protein_Sequence MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHWCNCPKKFGGQHCEIDKSKTCYEGNGHFYRGKASTDTMGRPCLPWNSATVLQQTYHAHRSDALQLGLGKHNYCRNPDNRRRPWCYVQVGLKLLVQECMVHDCADGKKPSSPPEELKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLAL
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names PLAU
UniProt_ID P00749
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name mupain-1
Peptide_Sequence CPAYSRYLDC
Peptide_Length 10
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C10; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1190.35
Aliphatic_Index 49.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.30000
Charge_at_pH_7 -0.12722
Isoelectric_Point 6.06069
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 476.32000
X_logP_energy -4.17983
Interaction Information
Affinity Ki=15.3 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4X1Q
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Release_Year 2014
PMID 25545505
DOI 10.1371/journal.pone.0115872