PPIRE06834

Target Protein Information
Protein_Name Carboxypeptidase B2
Protein_Sequence MKLCSLAVLVPIVLFCEQHVFAFQSGQVLAALPRTSRQVQVLQNLTTTYEIVLWQPVTADLIVKKKQVHFFVNASDVDNVKAHLNVSGIPCSVLLADVEDLIQQQISNDTVSPRASASYYEQYHSLNEIYSWIEFITERHPDMLTKIHIGSSFEKYPLYVLKVSGKEQAAKNAIWIDCGIHAREWISPAFCLWFIGHITQFYGIIGQYTNLLRLVDFYVMPVVNVDGYDYSWKKNRMWRKNRSFYANNHCIGTDLNRNFASKHWCEEGASSSSCSETYCGLYPESEPEVKAVASFLRRNINQIKAYISMHSYSQHIVFPYSYTRSKSKDHEELSLVASEAVRAIEKISKNTRYTHGHGSETLYLAPGGGDDWIYDLGIKYSFTIELRDTGTYGFLLPERYIKPTCREAFAAVSKIAWHVIRNV
Organism_Source Homo sapiens
Functional_Classification carboxypeptidases
Cellular_Localization Extracellular
Gene_Names CPB2
UniProt_ID Q96IY4
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Anabaenopeptine 915
Peptide_Sequence YkIXXI
Peptide_Length 6
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)O
Chemical_Modification X4=homotyrosine; X5=homotyrosine
Cyclization_Method Side chain-side chain cyclization; k2<->I6; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 649.79
Aliphatic_Index 130.00000
Aromaticity 0.16667
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 0.99684
Isoelectric_Point 9.29830
Number_of_Hydrogen_Bond_Acceptors 9
Number_of_Hydrogen_Bond_Donors 9
Topological_Polar_Surface_Area 255.07000
X_logP_energy -0.74540
Interaction Information
Affinity IC50=530 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Release_Year 2016
PMID 27604544
DOI 10.1038/srep32958