PPIRE17668

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 6
Peptide_Sequence GTSFAEYWNLLA
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)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](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=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 1371.51
Aliphatic_Index 81.66667
Aromaticity 0.25000
Average_Rotatable_Bonds 3.33333
Charge_at_pH_7 -1.00109
Isoelectric_Point 3.84998
Hydrogen_Bond_Acceptors 18
Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 540.29000
X_logP_energy -3.47720
Interaction Information
Affinity KD=65 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Designer macrocyclic organo-peptide hybrids inhibit the interaction between p53 and HDM2/X by accommodating a functional a-helix
Release_Year 2014
PMID 24710524
DOI 10.1039/c4cc01199f