› 7ufj

X-ray diffraction
2.5Å resolution

Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR

Released:
DOI: 10.2210/pdb7ufj/pdb
PDB entry 7ufj coloured by chain, front view.
PDB entry 7ufj coloured by chain, side view.
PDB entry 7ufj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
Wang CJH, Awad W, Liu L, Mak JYW, Veerapen N, Illing PT, Purcell AW, Eckle SBG, McCluskey J, Besra GS, Fairlie DP, Rossjohn J, Le Nours J
J Biol Chem 102714 (2022)
PMID: 36403855

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-233312 (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:
Beta-2-microglobulin Chains: B, D
Molecule details ›
Chains: B, D
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
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)
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)

Ligands and Environments

4 bound ligands:
Ligand PRO 2 x PRO
Ligand N36 2 x N36
Ligand GOL 13 x GOL
Ligand ACT 4 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 217.936Å b: 70.888Å c: 144.387Å
α: 90° β: 104.861° γ: 90°
R-values:
R R work R free
0.183 0.18 0.238
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Classic costimulatory interactions in MAIT cell responses: from gene expression to immune regulation.
Wang et al. (2023)

1 mention without citation

Quantitative affinity measurement of small molecule ligand binding to major histocompatibility complex class-I-related protein 1 MR1.
Wang et al. (2022)