2ZAS

Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative

Summary for 2ZAS

• Entry DOI: 10.2210/pdb2zas/pdb
• Related: 2E2R
• Descriptor: Estrogen-related receptor gamma, 4-(1-methyl-1-phenylethyl)phenol, GLYCEROL, ... (4 entities in total)
• Functional Keywords: err gamma, bpa, 4-alpha-cumylphenol, nuclear receptor, transcription, activator, dna-binding, metal-binding, nucleus, transcription regulation, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : P62508
• Total number of polymer chains: 1
• Total formula weight: 27915.52

Authors

Matsushima, A.,Kakuta, Y.,Teramoto, T.,Shimohigashi, Y. (deposition date: 2007-10-09, release date: 2008-10-07, Last modification date: 2023-11-01)

Primary citation

Matsushima, A.,Teramoto, T.,Okada, H.,Liu, X.,Tokunaga, T.,Kakuta, Y.,Shimohigashi, Y.
ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373:408-413, 2008

PubMed Abstract: A receptor-binding assay and X-ray crystal structure analysis demonstrated that the endocrine disruptor bisphenol A (BPA) strongly binds to human estrogen-related receptor gamma (ERRgamma). BPA is well anchored to the ligand-binding pocket, forming hydrogen bonds with its two phenol-hydroxyl groups. In this study, we found that 4-alpha-cumylphenol lacking one of its phenol-hydroxyl groups also binds to ERRgamma very strongly. The 2.0 A crystal structure of the 4-alpha-cumylphenol/ERRgamma complex clearly revealed that ERRgamma's Leu345-beta-isopropyl plays a role in the tight binding of 4-alpha-cumylphenol and BPA, rotating in a back-and-forth induced-fit manner.

PubMed: 18582436
DOI: 10.1016/j.bbrc.2008.06.050

Experimental method

X-RAY DIFFRACTION (2 Å)