PPIPT00167

Target Protein Information
Protein_Name Bcl-2-related protein A1
Protein_Sequence MTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPKSGWMTFLEVTGKICEMLSLLKQYC
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family anti-apoptotic protein
Cellular_Localization Mitochondria
Gene_Names BCL2A1
UniProt_ID Q16548
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NOXA SAHBA
Peptide_Sequence AELEVECATQLRXFGDXLNFROKLL
Peptide_Length 25
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)O
Chemical_Modification None
Cyclization_Method Main chain-side chain cyclization; R31<->K35; other bonds
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2737.13
Aliphatic_Index 97.60000
Aromaticity 0.08000
Average_Rotatable_Bonds 3.76000
Charge_at_pH_7 -1.05852
Isoelectric_point 4.58756
Number_of_Hydrogen_Bond_Acceptors 37
Number_of_Hydrogen_Bond_Donors 41
Topological_Polar_Surface_Area 1167.15000
X_logP_energy -10.85306
Interaction Information
Affinity KD=165 nM
Affinity_Assay Bio-Layer Interferometry
PDB_ID 3MQP
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title STABILIZED PEPTIDES FOR COVALENT BINDING TO TARGET PROTEIN
Release_Year 2022
Patent_ID US20220213146A1