3IME

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid

3IME の概要

• エントリーDOI: 10.2210/pdb3ime/pdb
• 関連するPDBエントリー: 3COV 3IMC 3IMG
• 分子名称: Pantothenate synthetase, 1-benzofuran-2-carboxylic acid, GLYCEROL, ... (5 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
• 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: 63742.96

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 (2.39 Å)