PPIRE10318
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase |
|---|---|
| Protein_Sequence | MRFVAVLAVVLCALSFLNVAAEPEVTAKVYFDVMIDSEPLGRITIGLFGKDAPLTTENFRQLCTGEHGFGYKDSIFHRVIQNFMIQGGDFTNFDGTGGKSIYGEKFADENLNVKHFVGALSMANAGPNTNGSQFFITTAPTPWLDGRHVVFGKVLDGMDVVLRIEKTKTNSHDRPVKPVKIVASGEL |
| Organism_Source | Leishmania donovani |
| Functional_Classification | peptidyl-prolyl cis-trans isomerase |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CYP |
| UniProt_ID | Q9U9R3 |
| 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 | None |
| Cyclization_Method | Main chain-main chain cyclization; X1<->X11; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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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 | KD=15.15 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 3EOV |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure of cyclophilin from Leishmania donovani bound to cyclosporin at 2.6 A resolution: correlation between structure and thermodynamic data. |
| Release_Year | 2009 |
| PMID | 19923714 |
| DOI | 10.1107/S0907444909034234 |