PPIRE11705

Target Protein Information
Protein_Name H-2 class II histocompatibility antigen, A-Q beta chain
Protein_Sequence MALQIPSLLLSAAVVVLMVLSSPRTEGGNSERHFVAQLKGECYFTNGTQRIRSVNRYIYNREEWVRFDSDVGEYRAVTELGRPDAEYWNSQPEILERTRAEVDTVCRHNYEGVETHTSLRRLEQPNVAISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPHQGEVYTCHVEHPSLKSPITVEWRAQSESARSKMLSGIGGCVLGVIFLGLGLFIRHRSQKGPRGPPPAGLLQ
Organism_Source Mus musculus
Functional_Classification MHC class II
Cellular_Localization Plasma membrane
Gene_Names H2-Ab1
UniProt_ID P06342
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HEL(11-25)
Peptide_Sequence AMKRHGLDNYRGYSL
Peptide_Length 15
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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 1781.02
Aliphatic_Index 58.66667
Aromaticity 0.13333
Average_Rotatable_Bonds 3.93333
Charge_at_pH_7 2.08734
Isoelectric_Point 10.00670
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 790.30000
X_logP_energy -7.82616
Interaction Information
Affinity KD=6 mM
Affinity_Assay Scatchard analysis
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural basis of peptide binding and presentation by the type I diabetes-associated MHC class II molecule of NOD mice.
Release_Year 2000
PMID 10894169
DOI 10.1016/s1074-7613(00)80220-4