PPIRE03541

Target Protein Information
Protein_Name H-2 class II histocompatibility antigen, A-Q beta chain
Protein_Sequence MALQIPSLLLSAAVVVLMVLSSPRTEGGNSERHFVAQLKGECYFTNGTQRIRSVNRYIYNREEWVRFDSDVGEYRAVTELGRPDAEYWNSQPEILERTRAEVDTVCRHNYEGVETHTSLRRLEQPNVAISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPHQGEVYTCHVEHPSLKSPITVEWRAQSESARSKMLSGIGGCVLGVIFLGLGLFIRHRSQKGPRGPPPAGLLQ
Organism_Source Mus musculus
Functional_Classification Immune-related protein
Cellular_Localization Plasma membrane
Gene_Names H2-Ab1
UniProt_ID P06342
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name MBP 42-54
Peptide_Sequence GRFFGGDRGAPKRG
Peptide_Length 14
Peptide_SMILES C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1477.65
Aliphatic_Index 7.14286
Aromaticity 0.14286
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 2.99813
Isoelectric_Point 12.22264
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 681.85000
X_logP_energy -8.73729
Interaction Information
Affinity IC50=6100 nM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Quantitative Analysis of Peptides from Myelin Basic Protein Binding to the MHC Class II Protein, I-Au, Which Confers Susceptibility to Experimental Allergic Encephalomyelitis
Release_Year 1996
PMID None
DOI 10.1007/bf03401615