PPIRE16635

Target Protein Information
Protein_Name E3 ubiquitin-protein ligase Mdm2
Protein_Sequence MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligases
Cellular_Localization Nucleus
Gene_Names MDM2
UniProt_ID Q00987
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p53(16-27)
Peptide_Sequence ETFSDLWKLLP
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)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 1348.56
Aliphatic_Index 106.36364
Aromaticity 0.18182
Average_Rotatable_Bonds 3.72727
Charge_at_pH_7 -1.00009
Isoelectric_Point 4.18441
Hydrogen_Bond_Acceptors 17
Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 502.40000
X_logP_energy -1.30090
Interaction Information
Affinity KD=0.06 uM
Affinity_Assay binding assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR
Release_Year 2020
PMID 32435424
DOI 10.1021/acsmedchemlett.9b00620