PPIPT02760

Target Protein Information
Protein_Name HLA class II histocompatibility antigen, DRB1 beta chain
Protein_Sequence MVCLKLPGGSCMTALTVTLMVLSSPLALSGDTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVVESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARSESAQSKMLSGVGGFVLGLLFLGAGLFIYFRNQKGHSGLQPTGFLS
Organism_Source Homo sapiens
Functional_Classification MHC class II antigen presentation receptor
Cellular_Localization Plasma membrane
Gene_Names HLA-DRB1
UniProt_ID P01911
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name C2S-A12
Peptide_Sequence ALEGSLQKRGIVEQCCTSICS
Peptide_Length 21
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method none
Linear/Cyclic Linear
N-terminal_Modification free
C-terminal_Modification free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2225.58
Aliphatic_Index 92.85714
Aromaticity 0.00000
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 -0.18469
Isoelectric_point 6.19196
Hydrogen_Bond_Acceptors 35
Hydrogen_Bond_Donors 37
Topological_Polar_Surface_Area 974.94000
X_logP_energy -12.98263
Interaction Information
Affinity IC50=10 uM
Affinity_Assay direct competition binding assay using DELFIA
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Patent
Title PEPTIDES FOR TREATMENT OF AUTOIMMUNE DISEASES
Release_Year 2006
Patent_ID US20060199228A1