PPIRE10315
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase G |
|---|---|
| Protein_Sequence | MGIKVQRPRCFFDIAINNQPAGRVVFELFSDVCPKTCENFRCLCTGEKGTGKSTQKPLHYKSCLFHRVVKDFMVQGGDFSEGNGRGGESIYGGFFEDESFAVKHNKEFLLSMANRGKDTNGSQFFITTKPTPHLDGHHVVFGQVISGQEVVREIENQKTDAASKPFAEVRILSCGELIPKSKVKKEEKKRHKSSSSSSSSSSDSDSSSDSQSSSDSSDSESATEEKSKKRKKKHRKNSRKHKKEKKKRKKSKKSASSESEAENLEAQPQSTVRPEEIPPIPENRFLMRKSPPKADEKERKNRERERERECNPPNSQPASYQRRLLVTRSGRKIKGRGPRRYRTPSRSRSRDRFRRSETPPHWRQEMQRAQRMRVSSGERWIKGDKSELNEIKENQRSPVRVKERKITDHRNVSESPNRKNEKEKKVKDHKSNSKERDIRRNSEKDDKYKNKVKKRAKSKSRSKSKEKSKSKERDSKHNRNEEKRMRSRSKGRDHENVKEKEKQSDSKGKDQERSRSKEKSKQLESKSNEHDHSKSKEKDRRAQSRSRECDITKGKHSYNSRTRERSRSRDRSRRVRSRTHDRDRSRSKEYHRYREQEYRRRGRSRSRERRTPPGRSRSKDRRRRRRDSRSSEREESQSRNKDKYRNQESKSSHRKENSESEKRMYSKSRDHNSSNNSREKKADRDQSPFSKIKQSSQDNELKSSMLKNKEDEKIRSSVEKENQKSKGQENDHVHEKNKKFDHESSPGTDEDKSG |
| Organism_Source | Homo sapiens |
| Functional_Classification | peptidyl prolyl cis/trans isomerases |
| Cellular_Localization | Nucleus |
| Gene_Names | PPIG |
| UniProt_ID | Q13427 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cyclosporin A |
|---|---|
| Peptide_Sequence | XXXXXXXaaXX |
| Peptide_Length | 11 |
| Peptide_SMILES | C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=N-methylbutenyl-threonine; X2=2-aminobutyric acid; X3=N-methylleucine; X4=N-methylleucine; X5=N-methylleucine; X6=N-methylleucine; X7=N-methylvaline; X10=N-methylleucine; X11=N-methylleucine |
| 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 | 673.64 |
|---|---|
| Aliphatic_Index | 18.18182 |
| 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 | -9.03130 |
Interaction Information
| Affinity | KD=70 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 2WFJ |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The thermodynamic influence of trapped water molecules on a protein-ligand interaction. |
| Release_Year | 2009 |
| PMID | 19499554 |
| DOI | 10.1002/anie.200900481 |