› 3rtq

X-ray diffraction
2.8Å resolution

Structure of the mouse CD1d-HS44-iNKT TCR complex

Released:
DOI: 10.2210/pdb3rtq/pdb
Model geometry
Fit model/data
PDB entry 3rtq coloured by chain, front view.
PDB entry 3rtq coloured by chain, side view.
PDB entry 3rtq coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural and functional characterization of a novel nonglycosidic type I NKT agonist with immunomodulatory properties.
Kerzerho J, Yu ED, Barra CM, Alari-Pahissa E, Girardi E, Harrak Y, Lauzurica P, Llebaria A, Zajonc DM, Akbari O, Castaño AR
J Immunol 188 2254-65 (2012)
PMID: 22301545

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-208698 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (6 distinct):
Antigen-presenting glycoprotein CD1d1 Chain: A
Molecule details ›
Chain: A
Length: 285 amino acids
Theoretical weight: 32.61 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P11609 (Residues: 19-297; Coverage: 88%)
Gene names: Cd1.1, Cd1d1
Sequence domains:
Structure domains:
Beta-2-microglobulin Chain: B
Molecule details ›
Chain: B
Length: 99 amino acids
Theoretical weight: 11.66 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P01887 (Residues: 21-119; Coverage: 100%)
Gene name: B2m
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Valpha14 (mouse variable domain, human constant domain) Chain: C
V beta8.2 (mouse variable domain, human constant domain) Chain: D

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, FUL
Carbohydrate polymer
2 bound ligands:
Ligand NAG 1 x NAG
Ligand H4S 1 x H4S
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2221
Unit cell:
a: 78.776Å b: 191.66Å c: 150.919Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.227 0.268
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli

Quick links

Citations

9 review citations

Biology of CD1- and MR1-restricted T cells.
Salio et al. (2014)
8 more

3 mentions without citation

Recognition of CD1d-restricted antigens by natural killer T cells.
Rossjohn et al. (2012)
2 more