PPIRE03542

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 68-80
Peptide_Sequence YGSLPQKSHGRTQ
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)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 1458.60
Aliphatic_Index 30.00000
Aromaticity 0.07692
Average_Rotatable_Bonds 3.61538
Charge_at_pH_7 2.08774
Isoelectric_Point 10.45503
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 687.43000
X_logP_energy -9.76623
Interaction Information
Affinity IC50=5300 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