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 Cited by PubMed: 36188352 DOI: 10.1021/acscentsci.2c00969 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.74 Å)

Structure validation