PPIRE00454
Target Protein Information
| Protein_Name | SPRY domain-containing SOCS box protein 2 |
|---|---|
| Protein_Sequence | MGQTALAGGSSSTPTPQALYPDLSCPEGLEELLSAPPPDLGAQRRHGWNPKDCSENIEVKEGGLYFERRPVAQSTDGARGKRGYSRGLHAWEISWPLEQRGTHAVVGVATALAPLQTDHYAALLGSNSESWGWDIGRGKLYHQSKGPGAPQYPAGTQGEQLEVPERLLVVLDMEEGTLGYAIGGTYLGPAFRGLKGRTLYPAVSAVWGQCQVRIRYLGERRAEPHSLLHLSRLCVRHNLGDTRLGQVSALPLPPAMKRYLLYQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | E3 ubiquitin ligase adaptors |
| Cellular_Localization | Cytoplasm |
| Gene_Names | SPSB2 |
| UniProt_ID | Q99619 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cR8 |
|---|---|
| Peptide_Sequence | RGDINNNV |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)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)N[C@H](C(=O)O)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | R1<->V8; Main chain cyclization; Amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 900.95 |
|---|---|
| Aliphatic_Index | 85.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -0.00157 |
| Isoelectric_Point | 6.33872 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 16 |
| Topological_Polar_Surface_Area | 495.49000 |
| X_logP_energy | -7.51043 |
Interaction Information
| Affinity | Ki=121 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 5XN3 |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction. |
| Release_Year | 2017 |
| PMID | 28549582 |
| DOI | 10.1016/j.bbrc.2017.05.122 |