PPIRE13190

Target Protein Information
Protein_Name Bcl-2-like protein 2
Protein_Sequence MATPASAPDTRALVADFVGYKLRQKGYVCGAGPGEGPAADPLHQAMRAAGDEFETRFRRTFSDLAAQLHVTPGSAQQRFTQVSDELFQGGPNWGRLVAFFVFGAALCAESVNKEMEPLVGQVQEWMVAYLETQLADWIHSSGGWAEFTALYGDGALEEARRLREGNWASVRTVLTGAVALGALVTVGAFFASK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names BCL2L2
UniProt_ID Q92843
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Linear BimBH3
Peptide_Sequence EIWIAQELRRIGDEFNAYYA
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2457.73
Aliphatic_Index 93.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.95000
Charge_at_pH_7 -1.99795
Isoelectric_Point 4.14755
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 1031.65000
X_logP_energy -5.91516
Interaction Information
Affinity Ki=25 nM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Stabilizing the pro-apoptotic BimBH3 helix (BimSAHB)does not necessarily enhance affinity or biological activity.
Release_Year 2012
PMID 23151250
DOI 10.1021/cb3005403