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X-ray diffraction
2Å resolution

Structure of human MAIT A-F7 TCR in complex with human MR1-Pyridoxal-5'-phosphate

Released:
DOI: 10.2210/pdb9cgs/pdb
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PDB entry 9cgs coloured by chain, front view.
PDB entry 9cgs coloured by chain, side view.
PDB entry 9cgs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
MR1 presents vitamin B6-related compounds for recognition by MR1-reactive T cells.
McInerney MP, Awad W, Souter MNT, Kang Y, Wang CJH, Chan Yew Poa K, Abdelaal MR, Le NH, Shepherd CM, McNeice C, Meehan LJ, Nelson AG, Raynes JM, Mak JYW, McCluskey J, Chen Z, Ang CS, Fairlie DP, Le Nours J, Illing PT, Rossjohn J, Purcell AW
Proc Natl Acad Sci U S A 121 e2414792121 (2024)
PMID: 39589872

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-291667 (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: 31.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
Gene name: MR1
Sequence domains:
Beta-2-microglobulin Chains: B, F
Molecule details ›
Chains: B, F
Length: 100 amino acids
Theoretical weight: 11.88 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
TCR TRAV1-2 Chains: D, G
TCR TRBV6-1 Chains: E, H

Ligands and Environments

3 bound ligands:
Ligand GOL 3 x GOL
Ligand ACY 2 x ACY
Ligand NA 1 x NA
1 modified residue:
Ligand LLP 2 x LLP

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 216.801Å b: 70.076Å c: 142.88Å
α: 90° β: 104.551° γ: 90°
R-values:
R R work R free
0.174 0.173 0.2
Expression system: Escherichia coli

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