› 9cgs

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
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
Awad W, Rossjohn R
Proc. Natl. Acad. Sci. U.S.A. (2024)

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-281649 (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
Ig-like domain-containing protein Chains: D, G
Molecule details ›
Chains: D, G
Length: 204 amino acids
Theoretical weight: 22.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6P4G7 (Residues: 6-213; Coverage: 78%)
Gene name: TRA@
Sequence domains:
TCR TRBV6-1 Chains: E, H
Molecule details ›
Chains: E, H
Length: 246 amino acids
Theoretical weight: 27.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli

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

Entry percentile scores
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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