5Q0Q

Ligand binding to FARNESOID-X-RECEPTOR

5Q0Q の概要

• エントリーDOI: 10.2210/pdb5q0q/pdb
• Group deposition: Ligand binding to FARNESOID-X-RECEPTOR (G_1002033)
• 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate, ... (4 entities in total)
• 機能のキーワード: d3r, fxr, docking, transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 58853.68

構造登録者

Rudolph, M.G.,Benz, J.,Burger, D.,Thoma, R.,Ruf, A.,Joseph, C.,Kuhn, B.,Shao, C.,Yang, H.,Burley, S.K. (登録日: 2017-05-31, 公開日: 2017-07-05, 最終更新日: 2021-11-17)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.6 Å)