› 2z65

X-ray diffraction
2.7Å resolution

Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex

Released:
DOI: 10.2210/pdb2z65/pdb
Model geometry
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PDB entry 2z65 coloured by chain, front view.
PDB entry 2z65 coloured by chain, side view.
PDB entry 2z65 coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of the TLR4-MD-2 complex with bound endotoxin antagonist Eritoran.
Kim HM, Park BS, Kim JI, Kim SE, Lee J, Oh SC, Enkhbayar P, Matsushima N, Lee H, Yoo OJ, Lee JO
Cell 130 906-17 (2007)
PMID: 17803912

Function and Biology Details

Reaction catalysed: 
(1a) NAD(+) = cyclic ADP-ribose + nicotinamide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126150 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (3 distinct):
LRRNT domain-containing protein; Toll-like receptor 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 276 amino acids
Theoretical weight: 31.14 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O00206 (Residues: 27-228; Coverage: 25%)
  • Canonical: Q4G1L2 (Residues: 126-199; Coverage: 30%)
Gene names: TLR4, VLRB
Sequence domains:
Structure domains: Ribonuclease Inhibitor
Lymphocyte antigen 96 Chains: C, D
Molecule details ›
Chains: C, D
Length: 140 amino acids
Theoretical weight: 16.18 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9Y6Y9 (Residues: 19-158; Coverage: 99%)
Gene names: ESOP1, LY96, MD2
Sequence domains: ML domain
Structure domains: Immunoglobulin-like

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
2 bound ligands:
Ligand NAG 5 x NAG
Ligand E55 2 x E55
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P21
Unit cell:
a: 67.192Å b: 80.987Å c: 107.762Å
α: 90° β: 93.01° γ: 90°
R-values:
R R work R free
0.24 0.238 0.289
Expression system: Spodoptera frugiperda

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Citations

206 review citations

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

57 mentions without citation

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

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