PPIRE18295

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(370-394)
Peptide_Sequence QSVGVSSGKLLIKLKDGRKVETDHI
Peptide_Length 25
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2708.15
Aliphatic_Index 112.80000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.92000
Charge_at_pH_7 2.09038
Isoelectric_Point 10.32965
Number_of_Hydrogen_Bond_Acceptors 40
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1192.29000
X_logP_energy -12.69133
Interaction Information
Affinity KD=5.7 uM
Affinity_Assay Bio-Layer Interferometry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Binding mode of AIF(370-394) peptide to CypA: insights from NMR label-free and molecular docking studies
Release_Year 2018
PMID 29891613
DOI 10.1042/BCJ20180177