5KGS

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one

5KGS の概要

• エントリーDOI: 10.2210/pdb5kgs/pdb
• 関連するPDBエントリー: 4W1X 4WY4 4XJO 4XJP 5KGT
• 分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, ... (5 entities in total)
• 機能のキーワード: transaminase, plp, transferase, transferase-inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 98596.46

構造登録者

Maize, K.M.,Aldrich, C.C.,Finzel, B.C. (登録日: 2016-06-13, 公開日: 2017-06-14, 最終更新日: 2023-09-27)

• 主引用文献: Liu, F.,Dawadi, S.,Maize, K.M.,Dai, R.,Park, S.W.,Schnappinger, D.,Finzel, B.C.,Aldrich, C.C.; Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.; J. Med. Chem., 60:5507-5520, 2017; PubMed: 28594172; DOI: 10.1021/acs.jmedchem.7b00189

実験手法

X-RAY DIFFRACTION (2.1 Å)