3fli Summary


Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)

The structure was published by Flatt, B., Martin, R., Wang, T.L., et al., Bischoff, E., Daige, C., and Mohan, R., in 2009 in a paper entitled "Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR)." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.0 Å and deposited in 2008.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Bile acid receptor. This molecule has the UniProt identifier Q96RI1 (NR1H4_HUMAN)search. The sample contained 231 residues which is < 90% of the natural sequence. Out of 231 residues 220 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Bile acid receptor Q96RI1 (258-486) (NR1H4_HUMAN)search Homo sapienssearch < 90% 231 95%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q96RI1 (258 - 486) Bile acid receptor Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A Retinoid X Receptorsearch Ligand-binding domain of nuclear hormone receptorsearch

Chain ID Molecular function (GO) Biological process (GO) Cellular component (GO)
A (Q96RI1) steroid hormone receptor activitysearch DNA bindingsearch sequence-specific DNA binding transcription factor activitysearch regulation of transcription, DNA-templatedsearch steroid hormone mediated signaling pathwaysearch nucleussearch

Chain InterPro annotation
A Nuclear hormone receptor, ligand-binding, coresearch Steroid hormone receptorsearch Nuclear hormone receptor, ligand-bindingsearch