› 4nqe

X-ray diffraction
2.1Å resolution

Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil

Released:
DOI: 10.2210/pdb4nqe/pdb
PDB entry 4nqe coloured by chain, front view.
PDB entry 4nqe coloured by chain, side view.
PDB entry 4nqe coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Corbett AJ, Eckle SB, Birkinshaw RW, Liu L, Patel O, Mahony J, Chen Z, Reantragoon R, Meehan B, Cao H, Williamson NA, Strugnell RA, Van Sinderen D, Mak JY, Fairlie DP, Kjer-Nielsen L, Rossjohn J, McCluskey J
Nature 509 361-5 (2014)
PMID: 24695216

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-134780 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Major histocompatibility complex class I-related gene protein Chains: A, C
Molecule details ›
Chains: A, C
Length: 271 amino acids
Theoretical weight: 31.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
Gene name: MR1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, F
Molecule details ›
Chains: B, F
Length: 99 amino acids
Theoretical weight: 11.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Ig-like domain-containing protein Chains: D, G
Molecule details ›
Chains: D, G
Length: 203 amino acids
Theoretical weight: 22.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6P4G7 (Residues: 6-213; Coverage: 78%)
Gene name: TRA@
Sequence domains:
Structure domains: Immunoglobulins
T cell receptor beta constant 1 Chains: E, H
Molecule details ›
Chains: E, H
Length: 245 amino acids
Theoretical weight: 27.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01850 (Residues: 1-129; Coverage: 73%)
Gene name: TRBC1
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand 2L4 2 x 2L4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 218.11Å b: 70.6Å c: 143.86Å
α: 90° β: 104.63° γ: 90°
R-values:
R R work R free
0.184 0.182 0.222
Expression system: Escherichia coli

Quick links

Citations

170 review citations

The burgeoning family of unconventional T cells.
Godfrey et al. (2015)
169 more

3 mentions without citation

Biased MAIT TCR Usage Poised for Limited Antigen Diversity?
Souter et al. (2020)
2 more