PPIRE04685

Target Protein Information
Protein_Name Peptidyl-prolyl cis-trans isomerase A
Protein_Sequence MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Organism_Source Homo sapiens
Functional_Classification peptidyl prolyl cis/trans isomerase
Cellular_Localization Cytoplasm
Gene_Names PPIA
UniProt_ID P62937
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Cyclosporin A
Peptide_Sequence ALLVTAGLVLA
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Multi-point cyclization; X1<->X11; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1040.31
Aliphatic_Index 221.81818
Aromaticity 0.00000
Average_Rotatable_Bonds 2.90909
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 374.55000
X_logP_energy -1.18540
Interaction Information
Affinity Ki=1.5 nM
Affinity_Assay protease-free (uncoupled)assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A protease-free assay for peptidyl prolyl cis/trans isomerases using standard peptide substrates.
Release_Year 1997
PMID 9344417
DOI 10.1006/abio.1997.2330