4KY8

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid

4KY8 の概要

• エントリーDOI: 10.2210/pdb4ky8/pdb
• 関連するPDBエントリー: 1QZF 2OIP 3DL5 3DL6 3HJ3
• 分子名称: Bifunctional thymidylate synthase-dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ... (5 entities in total)
• 機能のキーワード: bifunctional enzyme, transferase, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Cryptosporidium hominis
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 311342.23

構造登録者

Kumar, V.P.,Anderson, K.S. (登録日: 2013-05-28, 公開日: 2013-08-21, 最終更新日: 2023-09-20)

• 主引用文献: Kumar, V.P.,Frey, K.M.,Wang, Y.,Jain, H.K.,Gangjee, A.,Anderson, K.S.; Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors.; Bioorg.Med.Chem.Lett., 23:5426-5428, 2013; PubMed: 23927969; DOI: 10.1016/j.bmcl.2013.07.037

実験手法

X-RAY DIFFRACTION (3.084 Å)