› 4xt2

X-ray diffraction
1.7Å resolution

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist

Released:
DOI: 10.2210/pdb4xt2/pdb
PDB entry 4xt2 coloured by chain, front view.
PDB entry 4xt2 coloured by chain, side view.
PDB entry 4xt2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.
Scheuermann TH, Stroud D, Sleet CE, Bayeh L, Shokri C, Wang H, Caldwell CG, Longgood J, MacMillan JB, Bruick RK, Gardner KH, Tambar UK
J Med Chem 58 5930-41 (2015)
PMID: 26226049

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151026 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aryl hydrocarbon receptor nuclear translocator Chains: B, D
Molecule details ›
Chains: B, D
Length: 121 amino acids
Theoretical weight: 14.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P27540 (Residues: 356-470; Coverage: 15%)
Gene names: ARNT, BHLHE2
Sequence domains: PAS domain
Structure domains: PAS domain
Endothelial PAS domain-containing protein 1 Chains: A, C
Molecule details ›
Chains: A, C
Length: 117 amino acids
Theoretical weight: 13.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q99814 (Residues: 239-350; Coverage: 13%)
Gene names: BHLHE73, EPAS1, HIF2A, MOP2, PASD2
Sequence domains: PAS domain
Structure domains: PAS domain

Ligands and Environments

1 bound ligand:
Ligand 43L 2 x 43L
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 74.253Å b: 84.39Å c: 82.784Å
α: 90° β: 104.39° γ: 90°
R-values:
R R work R free
0.161 0.159 0.192
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Targeting iron metabolism in drug discovery and delivery.
Crielaard et al. (2017)
5 more

11 mentions without citation

Chemical modulation of transcription factors.
Wiedemann et al. (2018)
10 more