› 6q3s

X-ray diffraction
2.5Å resolution

Engineered Human HLA_A2 MHC Class I molecule in complex with TCR and SV9 peptide

Released:
DOI: 10.2210/pdb6q3s/pdb
PDB entry 6q3s coloured by chain, front view.
PDB entry 6q3s coloured by chain, side view.
PDB entry 6q3s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
High-throughput peptide-MHC complex generation and kinetic screenings of TCRs with peptide-receptive HLA-A*02:01 molecules.
Moritz A, Anjanappa R, Wagner C, Bunk S, Hofmann M, Pszolla G, Saikia A, Garcia-Alai M, Meijers R, Rammensee HG, Springer S, Maurer D
Sci Immunol 4 (2019)
PMID: 31324691

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero trimer (preferred)
hetero dimer
PDBe Complex ID:
PDB-CPX-137801 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class I histocompatibility antigen, A alpha chain Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 31.92 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 Chain: B
Molecule details ›
Chain: B
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
SER-LEU-LEU-MET-TRP-ILE-THR-GLN-VAL Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.09 KDa
Source organism: Homo sapiens
Expression system: synthetic construct
Ig-like domain-containing protein; T cell receptor alpha variable 21 Chain: D
Molecule details ›
Chain: D
Length: 207 amino acids
Theoretical weight: 22.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0B4J279 (Residues: 21-112; Coverage: 99%)
  • Canonical: K7N5N2 (Residues: 115-207; Coverage: 45%)
Gene name: TRAV21
Sequence domains:
Ig-like domain-containing protein; T cell receptor beta variable 6-5 Chain: E
Molecule details ›
Chain: E
Length: 241 amino acids
Theoretical weight: 27.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0K0K1A5 (Residues: 22-114; Coverage: 100%)
  • Canonical: K7N5M4 (Residues: 123-249; Coverage: 49%)
Gene names: B2M, HDCMA22P, TRBV6-5
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand GOL 1 x GOL
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: P21
Unit cell:
a: 75.445Å b: 53.669Å c: 121.741Å
α: 90° β: 98.02° γ: 90°
R-values:
R R work R free
0.231 0.229 0.273
Expression systems:
  • Escherichia coli
  • synthetic construct

Quick links

Citations

5 review citations

Screening Cancer Immunotherapy: When Engineering Approaches Meet Artificial Intelligence.
Zhou et al. (2020)
4 more

1 mention without citation

Computationally profiling peptide:MHC recognition by T-cell receptors and T-cell receptor-mimetic antibodies.
Raybould et al. (2022)