3IMG

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid

3IMG の概要

• エントリーDOI: 10.2210/pdb3img/pdb
• 関連するPDBエントリー: 3COV 3IMC 3IME
• 分子名称: Pantothenate synthetase, 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ... (7 entities in total)
• 機能のキーワード: mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, drug design, fragment-based, atp-binding, magnesium, metal-binding, nucleotide-binding
• 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: 64233.41

構造登録者

Ciulli, A.,Hung, A.W.,Silvestre, H.L.,Wen, S.,Blundell, T.L.,Abell, C. (登録日: 2009-08-10, 公開日: 2009-10-13, 最終更新日: 2023-09-06)

• 主引用文献: Hung, A.W.,Silvestre, H.L.,Wen, S.,Ciulli, A.,Blundell, T.L.,Abell, C.; Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.; Angew.Chem.Int.Ed.Engl., 48:8452-8456, 2009; PubMed: 19780086; DOI: 10.1002/anie.200903821

実験手法

X-RAY DIFFRACTION (1.8 Å)