PPIRE18336
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(381-389) |
|---|---|
| Peptide_Sequence | CIKLKDGRKVC |
| Peptide_Length | 11 |
| Peptide_SMILES | CC[C@H](C)[C@H](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](CS)C(=O)O)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | Side chain cyclization; C1<-->C11; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1262.59 |
|---|---|
| Aliphatic_Index | 97.27273 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.18182 |
| Charge_at_pH_7 | 2.87359 |
| Isoelectric_Point | 9.66613 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 21 |
| Topological_Polar_Surface_Area | 531.58000 |
| X_logP_energy | -4.38953 |
Interaction Information
| Affinity | KD=2.4 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 |