5CG2

Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.

5CG2 の概要

• エントリーDOI: 10.2210/pdb5cg2/pdb
• 関連するPDBエントリー: 5CFZ 5CG1
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide, ... (4 entities in total)
• 機能のキーワード: antibiotics, nad, enoyl-acp reductase, oxidoreducatase-oxidoreducatase inhibitor complex, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Escherichia coli (strain K12)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67119.21

構造登録者

Jordan, C.A.,Vey, J.L. (登録日: 2015-07-09, 公開日: 2015-12-09, 最終更新日: 2023-09-27)

• 主引用文献: Jordan, C.A.,Sandoval, B.A.,Serobyan, M.V.,Gilling, D.H.,Groziak, M.P.,Xu, H.H.,Vey, J.L.; Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.; Acta Crystallogr.,Sect.F, 71:1521-1530, 2015; PubMed: 26625295; DOI: 10.1107/S2053230X15022098

実験手法

X-RAY DIFFRACTION (2.11 Å)