PPIRE06819

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 Anabaenopeptin SA1
Peptide_Sequence RkVXNF
Peptide_Length 6
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X4=5-phenylnorvaline
Cyclization_Method Side chain-side chain cyclization; k2<->F6; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 719.84
Aliphatic_Index 48.33333
Aromaticity 0.16667
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 1.99769
Isoelectric_Point 11.65178
Number_of_Hydrogen_Bond_Acceptors 10
Number_of_Hydrogen_Bond_Donors 12
Topological_Polar_Surface_Area 339.83000
X_logP_energy -3.37993
Interaction Information
Affinity IC50=2.2 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