PPIRE12516

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name BakI81Fii+11-XL
Peptide_Sequence GCVGRALAAFGDCINR
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C2<->C13; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1622.88
Aliphatic_Index 85.62500
Aromaticity 0.06250
Average_Rotatable_Bonds 3.25000
Charge_at_pH_7 0.87447
Isoelectric_Point 8.23140
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 704.01000
X_logP_energy -8.64866
Interaction Information
Affinity KD=30.5 nM
Affinity_Assay fluorescence anisotropy
PDB_ID 2LP8
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title NMR solution structure of a photoswitchable apoptosis activating Bak peptide bound to Bcl-xL.
Release_Year 2012
PMID 22515821
DOI 10.1021/ja302390a