Ligand binding to FARNESOID-X-RECEPTOR

Summary for 5Q0M

Group depositionLigand binding to FARNESOID-X-RECEPTOR (G_1002033)
DescriptorBile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid, ... (4 entities in total)
Functional Keywordsd3r, fxr, docking, transcription
Biological sourceHomo sapiens (Human)
Cellular locationNucleus . Isoform 1: Nucleus . Isoform 2: Nucleus . Isoform 3: Nucleus . Isoform 4: Nucleus  Q96RI1
Nucleus  A8K1V4
Total number of polymer chains2
Total molecular weight29429.92
Rudolph, M.G.,Benz, J.,Burger, D.,Thoma, R.,Ruf, A.,Joseph, C.,Kuhn, B.,Shao, C.,Yang, H.,Burley, S.K. (deposition date: 2017-05-31, release date: 2017-07-05, Last modification date: 2018-02-21)
Primary citation
Gaieb, Z.,Liu, S.,Gathiaka, S.,Chiu, M.,Yang, H.,Shao, C.,Feher, V.A.,Walters, W.P.,Kuhn, B.,Rudolph, M.G.,Burley, S.K.,Gilson, M.K.,Amaro, R.E.
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32:1-20, 2018
PubMed: 29204945 (PDB entries with the same primary citation)
DOI: 10.1007/s10822-017-0088-4
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.262802.8%1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-08-12