PPIRE11679

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 UK604(bicyclic 2)
Peptide_Sequence GAXLGRGCENHRCL
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)CN)C(=O)O
Chemical_Modification X3=(4R)-L-4,5-dithiolnorvaline
Cyclization_Method Side chain cyclization; X3<->C8; disulfide bond; X3<->C13; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1442.63
Aliphatic_Index 62.85714
Aromaticity 0.00000
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 0.96671
Isoelectric_Point 8.24296
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 674.49000
X_logP_energy -9.56946
Interaction Information
Affinity Ki=0.36 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4OS6
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Release_Year 2014
PMID 25343607
DOI 10.1038/NCHEM.2043