PPIPT01991

Target Protein Information
Protein_Name Apoptosis regulator Bcl-2
Protein_Sequence MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family anti-apoptotic protein
Cellular_Localization Mitochondria
Gene_Names BCL2
UniProt_ID P10415
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name A-5
Peptide_Sequence FIIXRFSCLADSYDASRHIF
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X4=(S)-2-amino-6-chlorohexy-4-ynoic acid
Cyclization_Method Side chain cyclization; X4<->C8; other bonds
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2318.63
Aliphatic_Index 88.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.65000
Charge_at_pH_7 0.02695
Isoelectric_point 7.35683
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 924.22000
X_logP_energy -7.51006
Interaction Information
Affinity KD=3.6 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title PEPTIDE WITH SAFER SECONDARY STRUCTURE, PEPTIDE LIBRARY, AND PRODUCTION METHODS FOR SAME
Release_Year 2013
Patent_ID US20130316910A1