CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101;DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN


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MHC-Binding
Epitope  
   
Complex PDB ID 1BX2
Accession Number 3DIEP0396
IEDB ID 13572
Epitope Sequence ENPVVHFFKNIVTPR
Starting Position86
Ending Position99
Epitope Type Linear Epitope

Assay Information  
Assay Antigen Purified MHC - X-ray crystallography Structure (crystal; NMR; etc.)
PDB CategoryIMMUNE SYSTEM
Keyword HLA-DR2; MYELIN BASIC PROTEIN; MULTIPLE SCLEROSIS; AUTOIMMUNITY; IMMUNE SYSTEM
Antibody Residues Interacting with Antigen Open in new window      Download dimplot pdb file
Antibody Chain 1 PDB Chain D
Antigen PDB ChainF
CommentsThere are two molecules in the asymmetric unit of the crystal. The first MHC molecule (chains D; E) is complexed with epitope residues 86-99 (chain F) and the second MHC (chains A; B) with epitope residues 85-98 (chain C). Hereafter; complex ABC is denoted complex I and complex DEF is denoted complex II. A crystal contact between the peptide residue P-3 in the complex I and P5 from the complex II stabilizes the NH2 terminus of the peptide in the complex I; enabling P-4 to be included in the model for the complex I and P5 to be included in the model for the complex II. The two non-crystallographically related epitope peptides have slightly different conformation of epitope residues P6 to P10; because of different crystal contacts to the MHC ?-helix. Specifically; for one molecule in the asymmetric unit there is a crystal contact of A: R50 on a symmetry related molecule with B: D66; Q64; Y60; and P6 residue I.

Experimental Details
Method
X-RAY DIFFRACTION
Resolution
2.6
R-Value
0.238
Space Group
P 43 21 2
Unit Cell
Length(Å) Angle(°)
a = 95.403 α = 90
b = 95.403 β = 90
c = 295.219 γ = 90



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Source Information  
Structure Determination Method X-RAY DIFFRACTION