4OQV

High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)

4OQV の概要

• エントリーDOI: 10.2210/pdb4oqv/pdb
• 関連するPDBエントリー: 4ORI 4ORM
• 分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, OROTIC ACID, ... (9 entities in total)
• 機能のキーワード: alpha/beta barrel, redox, dehydrogenase, fmn, mitochondrial membrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Mitochondrion inner membrane; Single-pass membrane protein: Q02127
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42487.79

構造登録者

Deng, X.,Phillips, M.A. (登録日: 2014-02-10, 公開日: 2014-06-04, 最終更新日: 2024-02-28)

• 主引用文献: Deng, X.,Kokkonda, S.,El Mazouni, F.,White, J.,Burrows, J.N.,Kaminsky, W.,Charman, S.A.,Matthews, D.,Rathod, P.K.,Phillips, M.A.; Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors.; J.Med.Chem., 57:5381-5394, 2014; PubMed: 24801997; DOI: 10.1021/jm500481t

実験手法

X-RAY DIFFRACTION (1.23 Å)