PPIRE03546

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 142-167
Peptide_Sequence KGVDAQGTLSKIFKLGGRDSRSGS
Peptide_Length 24
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=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 2464.76
Aliphatic_Index 65.00000
Aromaticity 0.04167
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 2.99799
Isoelectric_Point 11.05847
Number_of_Hydrogen_Bond_Acceptors 38
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1153.32000
X_logP_energy -16.75896
Interaction Information
Affinity IC50=3800 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