PPIRE17787

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification Bcl 2 family
Cellular_Localization Mitochondria
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bak i7 727 (dark-adapted)
Peptide_Sequence DSFVANLKCLINVQEL
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C2<-->C9; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification FAM
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1806.11
Aliphatic_Index 140.00000
Aromaticity 0.06250
Average_Rotatable_Bonds 3.81250
Charge_at_pH_7 -1.06206
Isoelectric_Point 4.18437
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 749.94000
X_logP_energy -6.16380
Interaction Information
Affinity KD=825 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 1BXL
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Photocontrollable Peptide-Based Switches Target the Anti-Apoptotic Protein Bcl-xL
Release_Year 2008
PMID 19012295
DOI 10.1002/cbic.200800502