› 7mlm

X-ray diffraction
2.1Å resolution

Crystal structure of mouse TLR4/MD-2 in complex with sulfatides

Released:
DOI: 10.2210/pdb7mlm/pdb
PDB entry 7mlm coloured by chain, front view.
PDB entry 7mlm coloured by chain, side view.
PDB entry 7mlm coloured by chain, top view.
Source organisms:
Primary publication:
Sulfatides are endogenous ligands for the TLR4-MD-2 complex.
Su L, Athamna M, Wang Y, Wang J, Freudenberg M, Yue T, Wang J, Moresco EMY, He H, Zor T, Beutler B
Proc Natl Acad Sci U S A 118 (2021)
PMID: 34290146

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero tetramer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175535 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (4 distinct):
LRRNT domain-containing protein; Toll-like receptor 4 Chain: A
Molecule details ›
Chain: A
Length: 635 amino acids
Theoretical weight: 71.65 KDa
Source organisms: Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q9QUK6 (Residues: 26-544; Coverage: 64%)
  • Canonical: Q4G1L2 (Residues: 126-200; Coverage: 30%)
Gene names: Lps, Tlr4, VLRB
Sequence domains:
Lymphocyte antigen 96 Chain: C
Molecule details ›
Chain: C
Length: 188 amino acids
Theoretical weight: 21.3 KDa
Source organism: Mus musculus
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q9JHF9 (Residues: 19-160; Coverage: 100%)
Gene names: Esop1, Ly96, Md2

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand NAG 4 x NAG
Ligand ZKM 3 x ZKM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2221
Unit cell:
a: 145.094Å b: 164.293Å c: 89.296Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.21 0.244
Expression system: Trichoplusia ni

Quick links

Citations

3 review citations

Bacterial lipopolysaccharide-induced endothelial activation and dysfunction: a new predictive and therapeutic paradigm for sepsis.
Wang et al. (2023)
2 more

5 mentions without citation

The repertoire of protein-sulfatide interactions reveal distinct modes of sulfatide recognition.
Capelluto DGS. (2022)
4 more