PPIRE10930

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 upain-1
Peptide_Sequence CSWRGLENHRMC
Peptide_Length 12
Peptide_SMILES CSCC[C@H](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](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C12; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1491.72
Aliphatic_Index 32.50000
Aromaticity 0.08333
Average_Rotatable_Bonds 4.00000
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 652.31000
X_logP_energy -7.02986
Interaction Information
Affinity Ki=500 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID 2NWN
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural basis of specificity of a peptidyl urokinase inhibitor, upain-1.
Release_Year 2007
PMID 17692534
DOI 10.1016/j.jsb.2007.06.003