4MGA

Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol

Summary for 4MGA

• Entry DOI: 10.2210/pdb4mga/pdb
• Related: 3UU7 3UUA 3UUC 3UUD 4MG5 4MG6 4MG7 4MG8 4MG9 4MGB 4MGC 4MGD
• Descriptor: Estrogen receptor, Nuclear receptor coactivator 1, 4-(2,4,4-trimethylpentan-2-yl)phenol, ... (5 entities in total)
• Functional Keywords: ligand-binding domain of nuclear hormone receptor, hormone receptor
• Biological source: Homo sapiens (human); More
• Cellular location: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372 P03372; Nucleus : Q15788
• Total number of polymer chains: 4
• Total formula weight: 61752.84

Authors

Delfosse, V.,Grimaldi, M.,Bourguet, W. (deposition date: 2013-08-28, release date: 2014-09-03, Last modification date: 2024-11-06)

Primary citation

Delfosse, V.,Grimaldi, M.,Cavailles, V.,Balaguer, P.,Bourguet, W.
Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122:1306-1313, 2014

PubMed Abstract: Individuals are exposed daily to environmental pollutants that may act as endocrine-disrupting chemicals (EDCs), causing a range of developmental, reproductive, metabolic, or neoplastic diseases. With their mostly hydrophobic pocket that serves as a docking site for endogenous and exogenous ligands, nuclear receptors (NRs) can be primary targets of small molecule environmental contaminants. However, most of these compounds are chemically unrelated to natural hormones, so their binding modes and associated hormonal activities are hardly predictable.

PubMed: 25260197
DOI: 10.1289/ehp.1408453

Experimental method

X-RAY DIFFRACTION (1.8 Å)