5Q0Z

Ligand binding to FARNESOID-X-RECEPTOR

Summary for 5Q0Z

Entry DOI	10.2210/pdb5q0z/pdb
Group deposition	Ligand binding to FARNESOID-X-RECEPTOR (G_1002033)
Descriptor	Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate, ... (4 entities in total)
Functional Keywords	d3r, fxr, docking, transcription
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	58633.35
Authors	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: 2021-11-17)
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 Cited by PubMed: 29204945 DOI: 10.1007/s10822-017-0088-4 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.26 Å)

Structure validation