PPIRE09765

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-1-16 D9A
Peptide_Sequence CPAYSXYLAC
Peptide_Length 10
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=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](C)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification X6=L-3-(N-amidino-4-piperidyl)alanine
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 1047.21
Aliphatic_Index 59.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 2.70000
Charge_at_pH_7 -0.12767
Isoelectric_Point 5.82212
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 377.12000
X_logP_energy -3.26650
Interaction Information
Affinity Ki=0.174 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4X1S
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