› 5jlz

X-ray diffraction
1.99Å resolution

Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32

Released:
DOI: 10.2210/pdb5jlz/pdb
PDB entry 5jlz coloured by chain, front view.
PDB entry 5jlz coloured by chain, side view.
PDB entry 5jlz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted α-Enolase T Cell Epitope in Rheumatoid Arthritis.
Gerstner C, Dubnovitsky A, Sandin C, Kozhukh G, Uchtenhagen H, James EA, Rönnelid J, Ytterberg AJ, Pieper J, Reed E, Tandre K, Rieck M, Zubarev RA, Rönnblom L, Sandalova T, Buckner JH, Achour A, Malmström V
Front Immunol 7 494 (2016)
PMID: 27895642

Function and Biology Details

Reaction catalysed: 
2-phospho-D-glycerate = phosphoenolpyruvate + H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-135323 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
HLA class II histocompatibility antigen, DR alpha chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 189 amino acids
Theoretical weight: 21.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01903 (Residues: 26-206; Coverage: 79%)
Gene names: HLA-DRA, HLA-DRA1
Sequence domains:
Structure domains:
HLA class II histocompatibility antigen, DRB1 beta chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 198 amino acids
Theoretical weight: 23.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01911 (Residues: 30-219; Coverage: 80%)
Gene name: HLA-DRB1
Sequence domains:
Structure domains:
Alpha-enolase Chains: E, F
Molecule details ›
Chains: E, F
Length: 15 amino acids
Theoretical weight: 1.45 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P06733 (Residues: 26-40; Coverage: 4%)
Gene names: ENO1, ENO1L1, MBPB1, MPB1

Ligands and Environments

1 bound ligand:
Ligand MLA 1 x MLA
1 modified residue:
Ligand CIR 2 x CIR

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 69.442Å b: 73.782Å c: 145.482Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.243
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

6 review citations

Effector Functions of CD4+ T Cells at the Site of Local Autoimmune Inflammation-Lessons From Rheumatoid Arthritis.
Chemin et al. (2019)
5 more

27 mentions without citation

Structural aspects of chemical modifications in the MHC-restricted immunopeptidome; Implications for immune recognition.
Sandalova et al. (2022)
26 more