PPIRE01201

Target Protein Information
Protein_Name E3 ubiquitin-protein ligase Mdm2
Protein_Sequence MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP
Organism_Source Homo sapiens
Functional_Classification ubiquitin E3 ligase
Cellular_Localization nucleus
Gene_Names MDM2
UniProt_ID Q00987
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PMI-0
Peptide_Sequence TSFAEYWNLLSP
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1427.58
Aliphatic_Index 73.33333
Aromaticity 0.25000
Average_Rotatable_Bonds 3.33333
Charge_at_pH_7 -1.00109
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 551.73000
X_logP_energy -3.63000
Interaction Information
Affinity Ki=5.9 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Release_Year 2019
PMID 30809370
DOI 10.1039/c8sc03275k