PPIRE17472

Target Protein Information
Protein_Name None
Protein_Sequence EMGDELLAKLARDATFFVRAHESNEMQPTLAISHAGVSVVMAQAQPRREKRWSEWASGKVLCLLDPLDGVYNYLAQQRCNLDDTWEGKIYRVLAGNPAKHAGDI
Organism_Source Pseudomonas aeruginosa
Functional_Classification ADP ribosyltransferases
Cellular_Localization Extracellular
Gene_Names toxA
UniProt_ID A0A890C3Y4
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HNP-1
Peptide_Sequence ACYCRIPACIAGERRYGTCIYQGRLWAFCC
Peptide_Length 30
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3448.09
Aliphatic_Index 65.33333
Aromaticity 0.16667
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 2.62535
Isoelectric_Point 8.37495
Number_of_Hydrogen_Bond_Acceptors 47
Number_of_Hydrogen_Bond_Donors 55
Topological_Polar_Surface_Area 1323.13000
X_logP_energy -10.92352
Interaction Information
Affinity KD=40 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Neutralization of Pseudomonas auruginosa Exotoxin A by human neutrophil peptide 1
Release_Year 2018
PMID 29738776
DOI 10.1016/j.bbrc.2018.05.011