› 6rp9

X-ray diffraction
3.12Å resolution

Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV

Released:
DOI: 10.2210/pdb6rp9/pdb
Model geometry
Fit model/data
PDB entry 6rp9 coloured by chain, front view.
PDB entry 6rp9 coloured by chain, side view.
PDB entry 6rp9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
Coles CH, Mulvaney RM, Malla S, Walker A, Smith KJ, Lloyd A, Lowe KL, McCully ML, Martinez Hague R, Aleksic M, Harper J, Paston SJ, Donnellan Z, Chester F, Wiederhold K, Robinson RA, Knox A, Stacey AR, Dukes J, Baston E, Griffin S, Jakobsen BK, Vuidepot A, Harper S
J Immunol 204 1943-1953 (2020)
PMID: 32102902

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero pentamer (preferred)
hetero dimer
PDBe Complex ID:
PDB-CPX-209030 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class I histocompatibility antigen, A alpha chain Chains: A, F
Molecule details ›
Chains: A, F
Length: 277 amino acids
Theoretical weight: 32.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04439 (Residues: 25-299; Coverage: 81%)
Gene names: HLA-A, HLAA
Sequence domains:
Beta-2-microglobulin Chains: B, G
Molecule details ›
Chains: B, G
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
Cancer/testis antigen 1 Chains: C, H
T-cell receptor alpha chain Chains: D, I, K
T-cell receptor beta chain Chains: E, J, L

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 106.57Å b: 85.61Å c: 171.92Å
α: 90° β: 91.78° γ: 90°
R-values:
R R work R free
0.225 0.223 0.25
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

4 review citations

Can we predict T cell specificity with digital biology and machine learning?
Hudson et al. (2023)
3 more

4 mentions without citation

TCR Recognition of Peptide-MHC-I: Rule Makers and Breakers.
Szeto et al. (2020)
3 more