5TNB

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

Summary for 5TNB

• Entry DOI: 10.2210/pdb5tnb/pdb
• Related: 5TN9
• Descriptor: Estrogen receptor, 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate (3 entities in total)
• Functional Keywords: nuclear receptor, transcription factor, ligand binding, protein-ligand complex, transcription
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372
• Total number of polymer chains: 4
• Total formula weight: 119639.85

Authors

Nwachukwu, J.C.,Sharma, N.,Carlson, K.E.,Srinivasan, S.,Sharma, A.,Katzenellenbogen, J.A.,Nettles, K.W. (deposition date: 2016-10-13, release date: 2017-02-15, Last modification date: 2024-03-06)

• Primary citation: Sharma, N.,Carlson, K.E.,Nwachukwu, J.C.,Srinivasan, S.,Sharma, A.,Nettles, K.W.,Katzenellenbogen, J.A.; Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.; ACS Chem. Biol., 12:494-503, 2017; PubMed: 28032978; DOI: 10.1021/acschembio.6b00918

Experimental method

X-RAY DIFFRACTION (2.08 Å)