PPIRE18189
Target Protein Information
| Protein_Name | Calmodulin-1 |
|---|---|
| Protein_Sequence | MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK |
| Organism_Source | Homo sapiens |
| Functional_Classification | calcium binding proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CALM1 |
| UniProt_ID | P0DP23 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 27c |
|---|---|
| Peptide_Sequence | KEKWXWKG |
| Peptide_Length | 8 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)O |
| Chemical_Modification | X5=g-thia-homoglutamate |
| Cyclization_Method | multi-point cyclization; E2<-->K3; amide bond; N1<-->X5; thioether bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1018.18 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 4.25000 |
| Charge_at_pH_7 | 1.99887 |
| Isoelectric_Point | 10.50692 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 15 |
| Topological_Polar_Surface_Area | 413.96000 |
| X_logP_energy | -1.24550 |
Interaction Information
| Affinity | KD=4.5 uM |
|---|---|
| Affinity_Assay | Microscale Thermophoresis |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Bridged bicyclic peptides as potential drug scaffolds: synthesis structure protein binding and stability |
| Release_Year | 2015 |
| PMID | 29861888 |
| DOI | 10.1039/c5sc01699a |