7UMY

Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)

7UMY の概要

• エントリーDOI: 10.2210/pdb7umy/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, ... (4 entities in total)
• 機能のキーワード: enoyl reductase, fabi, antimicrobial resistance, antibiotic
• 由来する生物種: Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 180575.85

構造登録者

Hajian, B. (登録日: 2022-04-08, 公開日: 2023-02-15, 最終更新日: 2023-10-25)

• 主引用文献: Parker, E.N.,Cain, B.N.,Hajian, B.,Ulrich, R.J.,Geddes, E.J.,Barkho, S.,Lee, H.Y.,Williams, J.D.,Raynor, M.,Caridha, D.,Zaino, A.,Rohde, J.M.,Zak, M.,Shekhar, M.,Munoz, K.A.,Rzasa, K.M.,Temple, E.R.,Hunt, D.,Jin, X.,Vuong, C.,Pannone, K.,Kelly, A.M.,Mulligan, M.P.,Lee, K.K.,Lau, G.W.,Hung, D.T.,Hergenrother, P.J.; An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections; Acs Cent.Sci., 8:1362-1362, 2022; PubMed: 36188352; DOI: 10.1021/acscentsci.2c00969

実験手法

X-RAY DIFFRACTION (2.74 Å)