3RAS

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor

3RAS の概要

• エントリーDOI: 10.2210/pdb3ras/pdb
• 関連するPDBエントリー: 2JCV 2JCZ
• 分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, ... (7 entities in total)
• 機能のキーワード: oxidoreductase, doxp/mep pathway, isoprene biosynthesis, 1-deoxy-d-xylulose 5-phosphate reductoisomerase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 86467.18

構造登録者

Diao, J.,Deng, L.,Prasad, B.V.V.,Song, Y. (登録日: 2011-03-28, 公開日: 2011-05-25, 最終更新日: 2024-02-21)

• 主引用文献: Deng, L.,Diao, J.,Chen, P.,Pujari, V.,Yao, Y.,Cheng, G.,Crick, D.C.,Prasad, B.V.,Song, Y.; Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.; J.Med.Chem., 54:4721-4734, 2011; PubMed: 21561155; DOI: 10.1021/jm200363d

実験手法

X-RAY DIFFRACTION (2.55 Å)