PPIRE03105

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 11-mer
Peptide_Sequence MMNLDWSWLTE
Peptide_Length 11
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1425.64
Aliphatic_Index 70.90909
Aromaticity 0.18182
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -1.99979
Isoelectric_Point 3.55007
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 544.05000
X_logP_energy -2.11930
Interaction Information
Affinity IC50=39 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