PPIRE11617

Target Protein Information
Protein_Name Phospholipid hydroperoxide glutathione peroxidase GPX4
Protein_Sequence MSLGRLCRLLKPALLCGALAAPGLAGTMCASRDDWRCARSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQUGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGKQEPGSNEEIKEFAAGYNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEPLVIEKDLPHYF
Organism_Source Homo sapiens
Functional_Classification peroxidases
Cellular_Localization Cytoplasm
Gene_Names GPX4
UniProt_ID P36969
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name GXpep-3
Peptide_Sequence VPCPYLPLWNCAGK
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C3<->C11; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1560.89
Aliphatic_Index 83.57143
Aromaticity 0.14286
Average_Rotatable_Bonds 2.92857
Charge_at_pH_7 0.87289
Isoelectric_Point 8.22117
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 520.38000
X_logP_energy -1.84490
Interaction Information
Affinity KD=8.2 uM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis.
Release_Year 2016
PMID 27836545
DOI 10.1016/j.bbrc.2016.11.035