5J7Q

Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative

5J7Q の概要

• エントリーDOI: 10.2210/pdb5j7q/pdb
• 関連するPDBエントリー: 5J7P
• 分子名称: Macrophage migration inhibitory factor, 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: isomerase, isomerase inhibitor, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted : P14174
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 38208.12

構造登録者

Robertson, M.J.,Jorgensen, W.L. (登録日: 2016-04-06, 公開日: 2016-05-04, 最終更新日: 2023-09-27)

主引用文献

Cisneros, J.A.,Robertson, M.J.,Valhondo, M.,Jorgensen, W.L.
Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26:2764-2767, 2016

PubMed Abstract: Inhibitors of human macrophage migration inhibitory factor (MIF) previously reported in the literature have been reexamined by synthesis, assaying for tautomerase activity, and protein crystallography. Substantial inconsistencies between prior and current assay results are noted. They appear to arise from difficulties with the tautomerase substrates, solubility issues, and especially covalent inhibition. Incubation time variation shows that 3, 4, 6, and 9 are covalent or slow-binding inhibitors. Two protein crystal structures are provided; one confirms that the twice-discovered 3 is a covalent inhibitor.

PubMed: 27156768
DOI: 10.1016/j.bmcl.2016.04.074

実験手法

X-RAY DIFFRACTION (2.05 Å)