3IVC

Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid

3IVC の概要

• エントリーDOI: 10.2210/pdb3ivc/pdb
• 関連するPDBエントリー: 3IMC 3IMG 3IUB 3IUE 3IVG 3IVX
• 分子名称: Pantothenate synthetase, {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: mycobacterium tuberculosis, pantothenate synthetase, fragment-based lead discovery, atp-binding, 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: 65014.19

構造登録者

Silvestre, H.L.,Hung, A.W.,Wen, S.,Ciulli, A.,Blundell, T.L.,Abell, C. (登録日: 2009-08-31, 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 (2.13 Å)