PPIRE02684
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase A |
|---|---|
| Protein_Sequence | MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PPIA |
| UniProt_ID | P62937 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Cyclosporin A |
|---|---|
| Peptide_Sequence | XXXXXXXXXXX |
| Peptide_Length | 11 |
| Peptide_SMILES | NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=N-methyl-(4R)-4-[(E)-2-butenyl]-4-methyl-L-threonine; X2=L-aminobutyric acid; X3=N-methylglycine; X4=N-methylleucine; X9=N-methylleucine; X10=N-methylleucine; X11=N-methylvaline |
| Cyclization_Method | X1<->X11;main chain cyclization;amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Other |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 645.59 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.90909 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 354.32000 |
| X_logP_energy | -9.80830 |
Interaction Information
| Affinity | IC50=19 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structure of the complex of brugia malayi cyclophilin and cyclosporin A. |
| Release_Year | 2000 |
| PMID | 10642184 |
| DOI | 10.1021/bi991730q |