PPIRE03587

Target Protein Information
Protein_Name Vacuolating cytotoxin autotransporter
Protein_Sequence MEIQQTHRKINRPLVSLVLAGALISAIPQESHAAFFTTVIIPAIVGGIATGTAVGTVSGLLSWGLKQAEEANKTPDKPDKVWRIQAGKGFNEFPNKEYDLYKSLLSSKIDGGWDWGNAARHYWVKGGQWNKLEVDMKDAVGTYKLSGLRNFTGGDLDVNMQKATLRLGQFNGNSFTSYKDSADRTTRVNFNAKNISIDNFVEINNRVGSGAGRKASSTVLTLQASEGITSSKNAEISLYDGATLNLASNSVKLNGNVWMGRLQYVGAYLAPSYSTINTSKVQGEVDFNHLTVGDQNAAQAGIIASNKTHIGTLDLWQSAGLNIIAPPEGGYKDKPNSTTSQSGTKNDKKEISQNNNSNTEVINPPNNTQKTETEPTQVIDGPFAGGKDTVVNIFHLNTKADGTIKVGGFKASLTTNAAHLNIGKGGVNLSNQASGRTLLVENLTGNITVDGPLRVNNQVGGYALAGSSANFEFKAGVDTKNGTATFNNDISLGRFVNLKVDAHTANFKGIDTGNGGFNTLDFSGVTDKVNINKLITASTNVAVKNFNINELIVKTNGISVGEYTHFSEDIGSQSRINTVRLETGTRSIFSGGVKFKSGEKLVINDFYYSPWNYFDARNVKNVEITRKFASSTPENPWGTSKLMFNNLTLGQNAVMDYSQFSNLTIQGDFINNQGTINYLVRGGKVATLNVGNAAAMMFNNDIDSATGFYKPLIKINSAQDLIKNTEHVLLKAKIIGYGNVSTGTNGISNVNLEEQFKERLALYNNNNRMDTCVVRNTDDIKACGMAIGNQSMVNNPDNYKYLIGKAWRNIGISKTANGSKISVYYLGNSTPTENGGNTTNLPTNTTNNAHSANYALVKNAPFAHSATPNLVAINQHDFGTIESVFELANRSKDIDTLYTHSGAQGRDLLQTLLIDSHDAGYARQMIDNTSTGEITKQLNAATDALNNVASLEHKQSGLQTLSLSNAMILNSRLVNLSRKHTNHINSFAQRLQALKGQEFASLESAAEVLYQFAPKYEKPTNVWANAIGGASLNSGSNASLYGTSAGVDAFLNGNVEAIVGGFGSYGYSSFSNQANSLNSGANNANFGVYSRFFANQHEFDFEAQGALGSDQSSLNFKSTLLQDLNQSYNYLAYSATARASYGYDFAFFRNALVLKPSVGVSYNHLGSTNFKSNSQSQVALKNGASSQHLFNANANVEARYYYGDTSYFYLHAGVLQEFAHFGSNDVASLNTFKINAARSPLSTYARAMMGGELQLAKEVFLNLGVVYLHNLISNASHFASNLGMRYSF
Organism_Source Helicobacter pylori (strain J99 / ATCC 700824)
Functional_Classification other
Cellular_Localization Extracellular
Gene_Names vacA
UniProt_ID Q9ZKW5
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name None
Peptide_Sequence CGRVNQRLC
Peptide_Length 9
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method C1<->C9; side chain cyclization; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1048.25
Aliphatic_Index 75.55556
Aromaticity 0.00000
Average_Rotatable_Bonds 3.88889
Charge_at_pH_7 1.87403
Isoelectric_Point 8.83492
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 506.10000
X_logP_energy -6.86276
Interaction Information
Affinity KD=58 nM
Affinity_Assay Bio-Layer Interferometry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Complementary DNA display selection of high-affinity peptides binding the vacuolating toxin (VacA)of Helicobacter pylori.
Release_Year 2015
PMID 26152929
DOI 10.1002/psc.2795