5Q1H

Ligand binding to FARNESOID-X-RECEPTOR

Summary for 5Q1H

• Entry DOI: 10.2210/pdb5q1h/pdb
• Group deposition: Ligand binding to FARNESOID-X-RECEPTOR (G_1002033)
• Descriptor: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide, ... (4 entities in total)
• Functional Keywords: d3r, fxr, docking, transcription
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 8
• Total formula weight: 117495.30

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; PubMed: 29204945; DOI: 10.1007/s10822-017-0088-4

Experimental method

X-RAY DIFFRACTION (2.2 Å)