PPIRE07429
Target Protein Information
| Protein_Name | SPRY domain-containing SOCS box protein 2 |
|---|---|
| Protein_Sequence | MGQTALAGGSSSTPTPQALYPDLSCPEGLEELLSAPPPDLGAQRRHGWNPKDCSENIEVKEGGLYFERRPVAQSTDGARGKRGYSRGLHAWEISWPLEQRGTHAVVGVATALAPLQTDHYAALLGSNSESWGWDIGRGKLYHQSKGPGAPQYPAGTQGEQLEVPERLLVVLDMEEGTLGYAIGGTYLGPAFRGLKGRTLYPAVSAVWGQCQVRIRYLGERRAEPHSLLHLSRLCVRHNLGDTRLGQVSALPLPPAMKRYLLYQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | E3 ubiquitin ligases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | SPSB2 |
| UniProt_ID | Q99619 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | CP2 |
|---|---|
| Peptide_Sequence | WDINNNX |
| Peptide_Length | 7 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O |
| Chemical_Modification | X7=beta-alanine |
| Cyclization_Method | Main chain-main chain cyclization; W1<->X7; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 831.84 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.57143 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 420.28000 |
| X_logP_energy | -5.19050 |
Interaction Information
| Affinity | KD=32 nM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | 6DN5 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. |
| Release_Year | 2018 |
| PMID | 30226743 |
| DOI | 10.1021/acschembio.8b00561 |