› 3fxi

X-ray diffraction
3.1Å resolution

Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex

Released:
DOI: 10.2210/pdb3fxi/pdb
PDB entry 3fxi coloured by chain, front view.
PDB entry 3fxi coloured by chain, side view.
PDB entry 3fxi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex.
Park BS, Song DH, Kim HM, Choi BS, Lee H, Lee JO
Nature 458 1191-5 (2009)
PMID: 19252480

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126153 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (5 distinct):
Toll-like receptor 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 605 amino acids
Theoretical weight: 68.84 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: O00206 (Residues: 27-631; Coverage: 74%)
Gene name: TLR4
Sequence domains:
Structure domains: Ribonuclease Inhibitor
Lymphocyte antigen 96 Chains: C, D
Molecule details ›
Chains: C, D
Length: 142 amino acids
Theoretical weight: 16.39 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q9Y6Y9 (Residues: 19-160; Coverage: 100%)
Gene names: ESOP1, LY96, MD2
Sequence domains: ML domain
Structure domains: Immunoglobulin-like

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: PA1, KDO, GMH
Carbohydrate polymer
Carbohydrate polymer : NEW Components: PA1, KDO, GMH, GCS
Carbohydrate polymer
6 bound ligands:
Ligand FTT 8 x FTT
Ligand DAO 2 x DAO
Ligand MYR 2 x MYR
Ligand PO4 8 x PO4
Ligand NAG 8 x NAG
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 91.16Å b: 103.5Å c: 251.81Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.241 0.241 0.281
Expression system: Trichoplusia ni

Quick links

Citations

341 review citations

The role of pattern-recognition receptors in innate immunity: update on Toll-like receptors.
Kawai et al. (2010)
340 more

281 mentions without citation

The structural biology of Toll-like receptors.
Botos et al. (2011)
280 more