PPIRE03107
Target Protein Information
| Protein_Name | NF-kappa-B essential modulator |
|---|---|
| Protein_Sequence | MNRHLWKSQLCEMVQPSGGPAADQDVLGEESPLGKPAMLHLPSEQGAPETLQRCLEENQELRDAIRQSNQILRERCEELLHFQASQREEKEFLMCKFQEARKLVERLGLEKLDLKRQKEQALREVEHLKRCQQQMAEDKASVKAQVTSLLGELQESQSRLEAATKECQALEGRARAASEQARQLESEREALQQQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQEYDNHIKSSVVGSERKRGMQLEDLKQQLQQAEEALVAKQEVIDKLKEEAEQHKIVMETVPVLKAQADIYKADFQAERQAREKLAEKKELLQEQLEQLQREYSKLKASCQESARIEDMRKRHVEVSQAPLPPAPAYLSSPLALPSQRRSPPEEPPDFCCPKCQYQAPDMDTLQIHVMECIE |
| Organism_Source | Homo sapiens |
| Functional_Classification | E3 ubiquitin ligase adaptors |
| Cellular_Localization | Cytoplasm |
| Gene_Names | IKBKG |
| UniProt_ID | Q9Y6K9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | IKKa/b 28-mer |
|---|---|
| Peptide_Sequence | PAKKSEELVAEAHNLCTLLENAIQDTVR |
| Peptide_Length | 28 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)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 | 3093.50 |
|---|---|
| Aliphatic_Index | 104.64286 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.78571 |
| Charge_at_pH_7 | -1.96613 |
| Isoelectric_Point | 4.69874 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 45 |
| Number_of_Hydrogen_Bond_Donors | 47 |
| Topological_Polar_Surface_Area | 1354.11000 |
| X_logP_energy | -14.34433 |
Interaction Information
| Affinity | IC50=7 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure of a NEMO/IKK-associating domain reveals architecture of the interaction site. |
| Release_Year | 2008 |
| PMID | 18462684 |
| DOI | 10.1016/j.str.2008.02.012 |