PPIRE02912
Target Protein Information
| Protein_Name | C-reactive protein |
|---|---|
| Protein_Sequence | MEKLLCFLVLTSLSHAFGQTDMSRKAFVFPKESDTSYVSLKAPLTKPLKAFTVCLHFYTELSSTRGYSIFSYATKRQDNEILIFWSKDIGYSFTVGGSEILFEVPEVTVAPVHICTSWESASGIVEFWVDGKPRVRKSLKKGYTVGAEASIILGQEQDSFGGNFEGSQSLVGDIGNVNMWDFVLSPDEINTIYLGGPFSPNVLNWRALKYEVQGEVFTKPQLWP |
| Organism_Source | Homo sapiens |
| Functional_Classification | Immune-related protein |
| Cellular_Localization | Extracellular |
| Gene_Names | CRP |
| UniProt_ID | P02741 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | P3 |
|---|---|
| Peptide_Sequence | VHWDFRQWWQPS |
| Peptide_Length | 12 |
| Peptide_SMILES | CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O |
| 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 | 1671.84 |
|---|---|
| Aliphatic_Index | 24.16667 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.83333 |
| Charge_at_pH_7 | 0.08934 |
| Isoelectric_Point | 7.55094 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 23 |
| Topological_Polar_Surface_Area | 656.29000 |
| X_logP_energy | -2.46493 |
Interaction Information
| Affinity | KD=35.2 nM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Investigation of Peptides for Molecular Recognition of C-Reactive Protein-Theoretical and Experimental Studies. |
| Release_Year | 2023 |
| PMID | 37695838 |
| DOI | 10.1021/acs.analchem.3c03127 |