4Q0D

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid.

4Q0D の概要

• エントリーDOI: 10.2210/pdb4q0d/pdb
• 関連するPDBエントリー: 1QZF 2OIP 3DL5 3DL6 3HJ3 4KY8
• 分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, 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, transferase-transferase inhibitor complex, transferase/transferase 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: 311009.68

構造登録者

Kumar, V.P.,Anderson, K.S. (登録日: 2014-04-01, 公開日: 2014-10-15, 最終更新日: 2023-09-20)

• 主引用文献: Kumar, V.P.,Cisneros, J.A.,Frey, K.M.,Castellanos-Gonzalez, A.,Wang, Y.,Gangjee, A.,White, A.C.,Jorgensen, W.L.,Anderson, K.S.; Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.; Bioorg.Med.Chem.Lett., 24:4158-4161, 2014; PubMed: 25127103; DOI: 10.1016/j.bmcl.2014.07.049

実験手法

X-RAY DIFFRACTION (3.449 Å)