› 8xs9

X-ray diffraction
2.8Å resolution

Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with beta-Naphthoflavone

Released:
DOI: 10.2210/pdb8xs9/pdb
Model geometry
Fit model/data
PDB entry 8xs9 coloured by chain, front view.
PDB entry 8xs9 coloured by chain, side view.
PDB entry 8xs9 coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for the ligand-dependent activation of heterodimeric AHR-ARNT complex.
Diao X, Shang Q, Guo M, Huang Y, Zhang M, Chen X, Liang Y, Sun X, Zhou F, Zhuang J, Liu SJ, Vogel CFA, Rastinejad F, Wu D
Nat Commun 16 1282 (2025)
PMID: 39900897

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-286464 (preferred)
Entry contents:
2 distinct polypeptide molecules
2 distinct DNA molecules
Macromolecules (4 distinct):
Aryl hydrocarbon receptor nuclear translocator Chain: A
Molecule details ›
Chain: A
Length: 382 amino acids
Theoretical weight: 43.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P27540 (Residues: 85-465; Coverage: 48%)
Gene names: ARNT, BHLHE2
Sequence domains:
Aryl hydrocarbon receptor Chain: B
Molecule details ›
Chain: B
Length: 395 amino acids
Theoretical weight: 45.24 KDa
Source organism: Sus scrofa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: I3LF82 (Residues: 26-413; Coverage: 46%)
Gene name: AHR
Sequence domains:
DNAF Chain: C
DNAR Chain: D

Ligands and Environments

2 bound ligands:
Ligand DTT 1 x DTT
Ligand A1LWJ 1 x A1LWJ
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P21
Unit cell:
a: 67.996Å b: 98.514Å c: 79.999Å
α: 90° β: 90.66° γ: 90°
R-values:
R R work R free
0.208 0.203 0.264
Expression system: Escherichia coli BL21(DE3)

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