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)

Summary for 7UMY

• Entry DOI: 10.2210/pdb7umy/pdb
• Descriptor: 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)
• Functional Keywords: enoyl reductase, fabi, antimicrobial resistance, antibiotic
• Biological source: Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841
• Total number of polymer chains: 6
• Total formula weight: 180575.85

Authors

Hajian, B. (deposition date: 2022-04-08, release date: 2023-02-15, Last modification date: 2023-10-25)

Primary citation

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 Abstract: [This corrects the article DOI: 10.1021/acscentsci.2c00598.].

PubMed: 36188352
DOI: 10.1021/acscentsci.2c00969

Experimental method

X-RAY DIFFRACTION (2.74 Å)