› 4gs9

X-ray diffraction
1.72Å resolution

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist

Released:
DOI: 10.2210/pdb4gs9/pdb
PDB entry 4gs9 coloured by chain, front view.
PDB entry 4gs9 coloured by chain, side view.
PDB entry 4gs9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of inhibitors of the PAS-B domain of the HIF-2α transcription factor.
Rogers JL, Bayeh L, Scheuermann TH, Longgood J, Key J, Naidoo J, Melito L, Shokri C, Frantz DE, Bruick RK, Gardner KH, MacMillan JB, Tambar UK
J Med Chem 56 1739-47 (2013)
PMID: 23363003

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):
Endothelial PAS domain-containing protein 1 Chain: A
Molecule details ›
Chain: A
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
Aryl hydrocarbon receptor nuclear translocator Chain: B
Molecule details ›
Chain: B
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

Ligands and Environments

2 bound ligands:
Ligand 0XB 1 x 0XB
Ligand PE8 1 x PE8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 72.745Å b: 83.054Å c: 41.075Å
α: 90° β: 105.78° γ: 90°
R-values:
R R work R free
0.175 0.174 0.202
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

22 review citations

Targeting the HIF2-VEGF axis in renal cell carcinoma.
Choueiri et al. (2020)
21 more

6 mentions without citation

Development of inhibitors of the PAS-B domain of the HIF-2α transcription factor.
Rogers et al. (2013)
5 more