› 4p46

X-ray diffraction
2.85Å resolution

J809.B5 Y31A TCR bound to IAb3K

Released:
DOI: 10.2210/pdb4p46/pdb
PDB entry 4p46 coloured by chain, front view.
PDB entry 4p46 coloured by chain, side view.
PDB entry 4p46 coloured by chain, top view.
Source organisms:
Primary publication:
Effect of CDR3 sequences and distal V gene residues in regulating TCR-MHC contacts and ligand specificity.
Stadinski BD, Trenh P, Duke B, Huseby PG, Li G, Stern LJ, Huseby ES
J Immunol 192 6071-82 (2014)
PMID: 24813203

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-208605 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
H-2 class II histocompatibility antigen, A-B alpha chain Chain: C
Molecule details ›
Chain: C
Length: 179 amino acids
Theoretical weight: 20.24 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P14434 (Residues: 27-205; Coverage: 77%)
Gene name: H2-Aa
Sequence domains:
Structure domains:
H-2 class II histocompatibility antigen, A beta chain Chain: D
Molecule details ›
Chain: D
Length: 218 amino acids
Theoretical weight: 25.09 KDa
Source organism: synthetic construct
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P14483 (Residues: 2-4, 31-219; Coverage: 70%)
Gene names: H2-Ab1, H2-iabeta
Sequence domains:
Structure domains:
J809.B5 TCR Y31A alpha chain (Va2.8) Chain: A
Molecule details ›
Chain: A
Length: 199 amino acids
Theoretical weight: 22.28 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins
T cell receptor beta constant 1 Chain: B
Molecule details ›
Chain: B
Length: 238 amino acids
Theoretical weight: 26.69 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P01850 (Residues: 1-127; Coverage: 72%)
Gene name: TRBC1
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: C2
Unit cell:
a: 242.123Å b: 73.429Å c: 65.68Å
α: 90° β: 90.34° γ: 90°
R-values:
R R work R free
0.185 0.181 0.247
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli

Quick links

Citations

3 review citations

Emerging Concepts in TCR Specificity: Rationalizing and (Maybe) Predicting Outcomes.
Singh et al. (2017)
2 more

3 mentions without citation

Possible roles of exceptionally conserved residues around the selectivity filters of sodium and calcium channels.
Tikhonov et al. (2011)
2 more