PPIRE18335

Target Protein Information
Protein_Name Peptidyl-prolyl cis-trans isomerase A
Protein_Sequence MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Organism_Source Homo sapiens
Functional_Classification peptidyl prolyl isomerases
Cellular_Localization Cytoplasm
Gene_Names PPIA
UniProt_ID P62937
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AIF(380-390)ox
Peptide_Sequence CLIKLKDGRKVEC
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain cyclization; C1<-->C13; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1504.87
Aliphatic_Index 112.30769
Aromaticity 0.00000
Average_Rotatable_Bonds 4.23077
Charge_at_pH_7 1.87537
Isoelectric_Point 8.81515
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 627.08000
X_logP_energy -4.50903
Interaction Information
Affinity KD=3.2 uM
Affinity_Assay label-free Corning Epic technology
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design Optimization and Structural Characterization of an Apoptosis-Inducing Factor Peptide Targeting Human Cyclophilin A to Inhibit Apoptosis Inducing Factor-Mediated Cell Death
Release_Year 2021
PMID 34338510
DOI 10.1021/acs.jmedchem.1c00777