5Q18
Ligand binding to FARNESOID-X-RECEPTOR
Summary for 5Q18
Entry DOI | 10.2210/pdb5q18/pdb |
Group deposition | Ligand binding to FARNESOID-X-RECEPTOR (G_1002033) |
Descriptor | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, (2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide, ... (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 | 58803.64 |
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 |
Structure validation
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