› 5u16

X-ray diffraction
2Å resolution

Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR

Released:
DOI: 10.2210/pdb5u16/pdb
PDB entry 5u16 coloured by chain, front view.
PDB entry 5u16 coloured by chain, side view.
PDB entry 5u16 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Keller AN, Eckle SB, Xu W, Liu L, Hughes VA, Mak JY, Meehan BS, Pediongco T, Birkinshaw RW, Chen Z, Wang H, D'Souza C, Kjer-Nielsen L, Gherardin NA, Godfrey DI, Kostenko L, Corbett AJ, Purcell AW, Fairlie DP, McCluskey J, Rossjohn J
Nat Immunol 18 402-411 (2017)
PMID: 28166217

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-230964 (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 BL21(DE3)
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
Gene name: MR1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, D
Molecule details ›
Chains: B, D
Length: 99 amino acids
Theoretical weight: 11.75 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
MAIT T-cell receptor alpha chain Chains: E, G
Molecule details ›
Chains: E, G
Length: 203 amino acids
Theoretical weight: 22.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins
MAIT T-cell receptor beta chain Chains: F, H
Molecule details ›
Chains: F, H
Length: 245 amino acids
Theoretical weight: 27.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins

Ligands and Environments

4 bound ligands:
Ligand 7WO 2 x 7WO
Ligand GOL 5 x GOL
Ligand CL 3 x CL
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 216.44Å b: 69.85Å c: 143.12Å
α: 90° β: 104.35° γ: 90°
R-values:
R R work R free
0.175 0.173 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

63 review citations

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

4 mentions without citation

Molecular insights into metabolite antigen recognition by mucosal-associated invariant T cells.
Awad et al. (2023)
3 more