5G0S

InhA in complex with a DNA encoded library hit

5G0S の概要

• エントリーDOI: 10.2210/pdb5g0s/pdb
• 関連するPDBエントリー: 5G0T 5G0U 5G0V 5G0W
• 分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, inha, acp enoyl reductase, dna encoded library, del, tuberculosis
• 由来する生物種: MYCOBACTERIUM TUBERCULOSIS
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 118050.34

構造登録者

Read, J.A.,Breed, J. (登録日: 2016-03-22, 公開日: 2016-11-30, 最終更新日: 2024-01-10)

• 主引用文献: Soutter, H.H.,Centrella, P.,Clark, M.A.,Cuozzo, J.W.,Dumelin, C.E.,Guie, M.-A.,Habeshian, S.,Keefe, A.D.,Kennedy, K.M.,Sigel, E.A.,Troast, D.M.,Zhang, Y.,Ferguson, A.D.,Davies, G.,Stead, E.R.,Breed, J.,Madhavapeddi, P.,Read, J.A.; Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology; Proc.Natl.Acad.Sci.USA, 113:E7780-, 2016; PubMed: 27864515; DOI: 10.1073/PNAS.1610978113

実験手法

X-RAY DIFFRACTION (1.74 Å)