› 4qrq

X-ray diffraction
1.7Å resolution

Crystal Structure of HLA B*0801 in complex with HSKKKCDEL

Released:
DOI: 10.2210/pdb4qrq/pdb
PDB entry 4qrq coloured by chain, front view.
PDB entry 4qrq coloured by chain, side view.
PDB entry 4qrq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An extensive antigenic footprint underpins immunodominant TCR adaptability against a hypervariable viral determinant.
Nivarthi UK, Gras S, Kjer-Nielsen L, Berry R, Lucet IS, Miles JJ, Tracy SL, Purcell AW, Bowden DS, Hellard M, Rossjohn J, McCluskey J, Bharadwaj M
J Immunol 193 5402-13 (2014)
PMID: 25355921

Function and Biology Details

Reactions catalysed: 
NTP + H(2)O = NDP + phosphate
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-135267 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
HLA class I histocompatibility antigen, B alpha chain Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 31.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01889 (Residues: 25-300; Coverage: 82%)
Gene names: HLA-B, HLAB
Sequence domains:
Structure 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 BL21(DE3)
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
NS3-4A protein Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.09 KDa
UniProt:
  • Canonical: X2G898 (Residues: 369-377; Coverage: 1%)

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 50.836Å b: 81.511Å c: 110.789Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.209
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

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

4 mentions without citation

Whole-genome sequencing of a sporadic primary immunodeficiency cohort.
Thaventhiran et al. (2020)
3 more