› 5d7j

X-ray diffraction
1.97Å resolution

Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR

Released:
DOI: 10.2210/pdb5d7j/pdb
PDB entry 5d7j coloured by chain, front view.
PDB entry 5d7j coloured by chain, side view.
PDB entry 5d7j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Gherardin NA, Keller AN, Woolley RE, Le Nours J, Ritchie DS, Neeson PJ, Birkinshaw RW, Eckle SBG, Waddington JN, Liu L, Fairlie DP, Uldrich AP, Pellicci DG, McCluskey J, Godfrey DI, Rossjohn J
Immunity 44 32-45 (2016)
PMID: 26795251

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-229983 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
M33.64 TCR Alpha Chain Chains: A, G
Molecule details ›
Chains: A, G
Length: 204 amino acids
Theoretical weight: 22.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins
M33.64 TCR Beta Chain Chains: B, H
Molecule details ›
Chains: B, H
Length: 245 amino acids
Theoretical weight: 27.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins
Major histocompatibility complex class I-related gene protein Chains: C, E
Molecule details ›
Chains: C, E
Length: 271 amino acids
Theoretical weight: 31.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
Gene name: MR1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: D, F
Molecule details ›
Chains: D, F
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:
Ligand GOL 4 x GOL
Ligand 2LJ 2 x 2LJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 214.6Å b: 69.59Å c: 141.47Å
α: 90° β: 103.81° γ: 90°
R-values:
R R work R free
0.181 0.179 0.222
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

46 review citations

The biology and functional importance of MAIT cells.
Godfrey et al. (2019)
45 more

1 mention without citation

Comprehensive analysis of structural and sequencing data reveals almost unconstrained chain pairing in TCRαβ complex.
Shcherbinin et al. (2020)