PPIRE02678

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification other
Cellular_Localization Mitochondrion
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bak BH3 peptide
Peptide_Sequence GQVGRQLAIIGDDINR
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Other
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1724.94
Aliphatic_Index 121.87500
Aromaticity 0.00000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -0.00113
Isoelectric_Point 6.45000
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 827.49000
X_logP_energy -9.69286
Interaction Information
Affinity KD=120 nM
Affinity_Assay Bio-Layer Interferometry
PDB_ID 1BXL
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Terephthalamide derivatives as mimetics of helical peptides: disruption of the Bcl-x(L)/Bak interaction.
Release_Year 2005
PMID 15826183
DOI 10.1021/ja0446404