PDBe 4nqd

X-ray diffraction
2.2Å resolution

Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil

Released:

Function and Biology Details

Structure analysis Details

Assemblies composition:
hetero dimer
hetero octamer (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
UniProt:
  • Canonical: Q95460 (Residues: 23-292; Coverage: 85%)
  • Best match: Q95460-5 (Residues: 23-202)
Gene name: MR1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, F
Molecule details ›
Chains: B, F
Length: 99 amino acids
Theoretical weight: 11.75 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
Structure domains: Immunoglobulins
TRA@ protein Chains: D, G
Molecule details ›
Chains: D, G
Length: 203 amino acids
Theoretical weight: 22.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6P4G7 (Residues: 6-213; Coverage: 78%)
Gene name: TRA@
Sequence domains:
Structure domains: Immunoglobulins
T cell receptor beta constant 1 Chains: E, H
Molecule details ›
Chains: E, H
Length: 245 amino acids
Theoretical weight: 27.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01850 (Residues: 1-129; Coverage: 73%)
Gene name: TRBC1
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2
Unit cell:
a: 215.58Å b: 68.874Å c: 142.977Å
α: 90° β: 104.21° γ: 90°
R-values:
R R work R free
0.184 0.181 0.227
Expression system: Escherichia coli