PPIRE12725
Target Protein Information
| Protein_Name | Calmodulin-1 |
|---|---|
| Protein_Sequence | MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK |
| Organism_Source | Homo sapiens |
| Functional_Classification | EF-hand calcium-binding proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CALM1 |
| UniProt_ID | P0DP23 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | CnA-CBD peptide |
|---|---|
| Peptide_Sequence | VIRNKIRAIGKMARVFS |
| Peptide_Length | 17 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1959.43 |
|---|---|
| Aliphatic_Index | 114.70588 |
| Aromaticity | 0.05882 |
| Average_Rotatable_Bonds | 4.05882 |
| Charge_at_pH_7 | 4.99738 |
| Isoelectric_Point | 12.81364 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 26 |
| Number_of_Hydrogen_Bond_Donors | 31 |
| Topological_Polar_Surface_Area | 829.98000 |
| X_logP_energy | -6.81209 |
Interaction Information
| Affinity | KD=0.3 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 2W73 |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Domain swapping and different oligomeric States for the complex between calmodulin and the calmodulin-binding domain of calcineurin a. |
| Release_Year | 2009 |
| PMID | 19404396 |
| DOI | 10.1371/journal.pone.0005402 |