2HVC

The Crystal Structure of Ligand-binding Domain (LBD) of human Androgen Receptor in Complex with a selective modulator LGD2226

Summary for 2HVC

• Entry DOI: 10.2210/pdb2hvc/pdb
• Descriptor: Androgen receptor, 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE (3 entities in total)
• Functional Keywords: complexed with lgd2226, dna-binding, steroid-binding, ligand binding protein
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: P10275
• Total number of polymer chains: 1
• Total formula weight: 29541.43

Authors

Wang, F.,Liu, X.-Q.,Li, H.,Liang, K.-N.,Miner, J.N.,Hong, M.,Kallel, E.A.,van Oeveren, A.,Zhi, L.,Jiang, T. (deposition date: 2006-07-28, release date: 2007-07-31, Last modification date: 2023-10-25)

Primary citation

Wang, F.,Liu, X.-Q.,Li, H.,Liang, K.-N.,Miner, J.N.,Hong, M.,Kallel, E.A.,van Oeveren, A.,Zhi, L.,Jiang, T.
Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226
ACTA CRYSTALLOGR.,SECT.F, 62:1067-1071, 2006

PubMed Abstract: The androgen receptor (AR) is a ligand-inducible steroid hormone receptor that mediates androgen action, determining male sexual phenotypes and promoting spermatogenesis. As the androgens play a dominant role in male sexual development and function, steroidal androgen agonists have been used clinically for some years. However, there is a risk of potential side effects and most steroidal androgens cannot be dosed orally, which limits the use of these substances. 1,2-Dihydro-6-N,N-bis(2,2,2-trifluoroethyl)amino-4-trifluoromethyl-2-quinolinone (LGD2226) is a synthetic nonsteroidal ligand and a novel selective AR modulator. The crystal structure of the complex of LGD2226 with the androgen receptor ligand-binding domain (AR LBD) at 2.1 A was solved and compared with the structure of the AR LBD-R1881 complex. It is hoped that this will aid in further explaining the selectivity of LGD2226 observed in in vitro and in vivo assays and in developing more selective and effective therapeutic agents.

PubMed: 17077481
DOI: 10.1107/S1744309106039340

Experimental method

X-RAY DIFFRACTION (2.1 Å)