PPIRE12076
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase |
|---|---|
| Protein_Sequence | MKVGQDKVVTIRYTLQVEGEVLDQGELSYLHGHRNLIQGLEEALEGREEGEAFQAHVPAEKAYGPHDPEGVQVVPLSAFPEDAEVVPGAQFYAQDMEGNPMPLTVVAVEGEEVTVDFNHPLAGKDLDFQVEVVKVREATSEELLHVH |
| Organism_Source | Thermus thermophilus |
| Functional_Classification | peptidyl-prolyl isomerase |
| Cellular_Localization | Cytoplasm |
| Gene_Names | slyD |
| UniProt_ID | A0A3P4ASJ6 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | S2-plus1 |
|---|---|
| Peptide_Sequence | WNPKMKPFIFGARNK |
| Peptide_Length | 15 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1834.22 |
|---|---|
| Aliphatic_Index | 32.66667 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.86667 |
| Charge_at_pH_7 | 3.99710 |
| Isoelectric_Point | 11.92451 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 23 |
| Number_of_Hydrogen_Bond_Donors | 23 |
| Topological_Polar_Surface_Area | 695.07000 |
| X_logP_energy | -3.74113 |
Interaction Information
| Affinity | KD=4.16 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD. |
| Release_Year | 2016 |
| PMID | 27664121 |
| DOI | 10.1186/s12915-016-0300-3 |