› 3o6f

X-ray diffraction
2.8Å resolution

Crystal structure of a human autoimmune TCR MS2-3C8 bound to MHC class II self-ligand MBP/HLA-DR4

Released:
DOI: 10.2210/pdb3o6f/pdb
PDB entry 3o6f coloured by chain, front view.
PDB entry 3o6f coloured by chain, side view.
PDB entry 3o6f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of a TCR with high affinity for self-antigen reveals basis for escape from negative selection.
Yin Y, Li Y, Kerzic MC, Martin R, Mariuzza RA
EMBO J 30 1137-48 (2011)
PMID: 21297580

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-105338 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
HLA class II histocompatibility antigen, DR alpha chain Chains: A, E
Molecule details ›
Chains: A, E
Length: 182 amino acids
Theoretical weight: 21.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01903 (Residues: 26-207; Coverage: 80%)
Gene names: HLA-DRA, HLA-DRA1
Sequence domains:
Structure domains:
HLA class II histocompatibility antigen, DRB1 beta chain Chains: B, F
Molecule details ›
Chains: B, F
Length: 221 amino acids
Theoretical weight: 25.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01911 (Residues: 29-221; Coverage: 81%)
Gene name: HLA-DRB1
Sequence domains:
Structure domains:
T cell receptor alpha chain constant Chains: C, G
Molecule details ›
Chains: C, G
Length: 206 amino acids
Theoretical weight: 22.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01848 (Residues: 1-94; Coverage: 67%)
Gene names: TCRA, TRAC
Sequence domains: Domain of unknown function (DUF1968)
Structure domains: Immunoglobulins
T cell receptor beta constant 2 Chains: D, H
Molecule details ›
Chains: D, H
Length: 245 amino acids
Theoretical weight: 27.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A5B9 (Residues: 1-130; Coverage: 73%)
Gene names: TCRBC2, TRBC2
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21212
Unit cell:
a: 102.48Å b: 218.403Å c: 98.412Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.239 0.279
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

19 review citations

T cell antigen receptor recognition of antigen-presenting molecules.
Rossjohn et al. (2015)
18 more

17 mentions without citation

Conformational variation in structures of classical and non-classical MHCII proteins and functional implications.
Painter et al. (2012)
16 more