3LE8

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid

3LE8 の概要

• エントリーDOI: 10.2210/pdb3le8/pdb
• 分子名称: Pantothenate synthetase, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ... (6 entities in total)
• 機能のキーワード: fragment-based drug discovery, iloe, fragment linking, atp-binding, cytoplasm, ligase, magnesium, metal-binding, nucleotide-binding, pantothenate biosynthesis
• 由来する生物種: Mycobacterium tuberculosis
• 細胞内の位置: Cytoplasm (Potential): P0A5R0
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64481.74

構造登録者

Silvestre, H.L.,Hung, A.W.,Sledz, P.,Ciulli, A.,Blundell, T.L.,Abell, C. (登録日: 2010-01-14, 公開日: 2010-04-14, 最終更新日: 2023-09-06)

• 主引用文献: Sledz, P.,Silvestre, H.L.,Hung, A.W.,Ciulli, A.,Blundell, T.L.,Abell, C.; Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.; J.Am.Chem.Soc., 132:4544-4545, 2010; PubMed: 20232910; DOI: 10.1021/ja100595u

実験手法

X-RAY DIFFRACTION (1.7 Å)