› 5ocx

X-ray diffraction
1.75Å resolution

Crystal structure of ACPA E4 in complex with CII-C-13-CIT

Released:
DOI: 10.2210/pdb5ocx/pdb
PDB entry 5ocx coloured by chain, front view.
PDB entry 5ocx coloured by chain, side view.
PDB entry 5ocx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Ge C, Xu B, Liang B, Lönnblom E, Lundström SL, Zubarev RA, Ayoglu B, Nilsson P, Skogh T, Kastbom A, Malmström V, Klareskog L, Toes REM, Rispens T, Dobritzsch D, Holmdahl R
Arthritis Rheumatol 71 210-221 (2019)
PMID: 30152126

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-208766 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Fab fragment anti-citrullinated protein antibody E4 - light chain Chain: L
Molecule details ›
Chain: L
Length: 217 amino acids
Theoretical weight: 23.62 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
Fab fragment of anti-citrullinated protein antibody E4 - heavy chain Chain: H
Molecule details ›
Chain: H
Length: 221 amino acids
Theoretical weight: 23.45 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
Collagen alpha-1(II) chain Chain: A
Molecule details ›
Chain: A
Length: 18 amino acids
Theoretical weight: 1.75 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P02458 (Residues: 484-498; Coverage: 1%)
Gene name: COL2A1

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
2 modified residues:
Ligand PCA 1 x PCA
Ligand CIR 1 x CIR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 38.716Å b: 99.602Å c: 51.877Å
α: 90° β: 101.88° γ: 90°
R-values:
R R work R free
0.178 0.176 0.212
Expression systems:
  • Homo sapiens
  • Not provided

Quick links

Citations

10 review citations

Autoantibodies and B Cells: The ABC of rheumatoid arthritis pathophysiology.
Volkov et al. (2020)
9 more

1 mention without citation

A backbone-dependent rotamer library with high (ϕ, ψ) coverage using metadynamics simulations.
Mortensen et al. (2022)