› 1n2r

X-ray diffraction
1.7Å resolution

A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition.

Released:
DOI: 10.2210/pdb1n2r/pdb
PDB entry 1n2r coloured by chain, front view.
PDB entry 1n2r coloured by chain, side view.
PDB entry 1n2r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
Macdonald WA, Purcell AW, Mifsud NA, Ely LK, Williams DS, Chang L, Gorman JJ, Clements CS, Kjer-Nielsen L, Koelle DM, Burrows SR, Tait BD, Holdsworth R, Brooks AG, Lovrecz GO, Lu L, Rossjohn J, McCluskey J
J Exp Med 198 679-91 (2003)
PMID: 12939341

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-135257 (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: 31.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
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: 99 amino acids
Theoretical weight: 11.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Ig-like domain-containing protein Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.09 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q95HB9 (Residues: 77-85; Coverage: 4%)
Gene name: HLA-DPA1

Ligands and Environments

1 bound ligand:
Ligand ACY 2 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: P212121
Unit cell:
a: 50.72Å b: 82.295Å c: 109.55Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.229 0.261
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

32 review citations

More than one reason to rethink the use of peptides in vaccine design.
Purcell et al. (2007)
31 more

6 mentions without citation

A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
Macdonald et al. (2003)
5 more