› 4aen

X-ray diffraction
2.2Å resolution

HLA-DR1 with covalently linked CLIP106-120 in reversed orientation

Released:
DOI: 10.2210/pdb4aen/pdb
PDB entry 4aen coloured by chain, front view.
PDB entry 4aen coloured by chain, side view.
PDB entry 4aen coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Peptide linkage to the α-subunit of MHCII creates a stably inverted antigen presentation complex.
Schlundt A, Günther S, Sticht J, Wieczorek M, Roske Y, Heinemann U, Freund C
J Mol Biol 423 294-302 (2012)
PMID: 22820093

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-135318 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
HLA class II histocompatibility antigen, DR alpha chain Chain: A
Molecule details ›
Chain: A
Length: 207 amino acids
Theoretical weight: 23.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01903 (Residues: 26-217; Coverage: 84%)
Gene names: HLA-DRA, HLA-DRA1
Sequence domains:
Structure domains:
HLA class II histocompatibility antigen, DRB1 beta chain Chain: B
Molecule details ›
Chain: B
Length: 199 amino acids
Theoretical weight: 23.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01911 (Residues: 30-227; Coverage: 84%)
Gene name: HLA-DRB1
Sequence domains:
Structure domains:
Class-II-associated invariant chain peptide Chain: C
Molecule details ›
Chain: C
Length: 16 amino acids
Theoretical weight: 1.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04233 (Residues: 106-120; Coverage: 5%)
Gene names: CD74, DHLAG

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C222
Unit cell:
a: 66.196Å b: 145.111Å c: 108.777Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.183 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation.
Wieczorek et al. (2017)
2 more

3 mentions without citation

Accurate pan-specific prediction of peptide-MHC class II binding affinity with improved binding core identification.
Andreatta et al. (2015)
2 more