7UM8

Crystal structure of E. Coli FabI in complex with NAD and (R,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 7UM8

• Entry DOI: 10.2210/pdb7um8/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (2E)-3-[(7R)-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: Escherichia coli str. K-12 substr. MG1655
• Total number of polymer chains: 2
• Total formula weight: 58656.31

Authors

Hajian, B. (deposition date: 2022-04-06, 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 (1.7 Å)