PPIRE04686
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 | |
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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=1.9 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| 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 |