PPIPT00203

Target Protein Information
Protein_Name Polyubiquitin-B
Protein_Sequence MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGC
Organism_Source Homo sapiens
Functional_Classification Ubiquitin
Cellular_Localization Cytoplasm
Gene_Names UBB
UniProt_ID P0CG47
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Ub4i
Peptide_Sequence WGWFDNLYWYVTHCG
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method Main chain-side chain cyclization; W1<->G15; other bond
Linear/Cyclic Linear
N-terminal_Modification Chloroacetyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1947.16
Aliphatic_Index 45.33333
Aromaticity 0.40000
Average_Rotatable_Bonds 3.46667
Charge_at_pH_7 -0.97434
Isoelectric_point 5.28976
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 687.85000
X_logP_energy -0.91180
Interaction Information
Affinity KD=11 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title UBIQUITIN HIGH AFFINITY CYCLIC PEPTIDES AND METHODS OF USE THEREOF
Release_Year 2021
Patent_ID US20210238231A1