5Q0W
Ligand binding to FARNESOID-X-RECEPTOR
Summary for 5Q0W
Entry DOI | 10.2210/pdb5q0w/pdb |
Group deposition | Ligand binding to FARNESOID-X-RECEPTOR (G_1002033) |
Descriptor | Bile acid receptor, cDNA FLJ76652, highly similar to Homo sapiens nuclear receptor coactivator 1 (NCOA1), transcript variant 2, mRNA, 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, ... (4 entities in total) |
Functional Keywords | d3r, fxr, docking, transcription |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 2 |
Total formula weight | 29480.10 |
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: 2024-05-22) |
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: 29204945DOI: 10.1007/s10822-017-0088-4 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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