7OKC

Crystal structure of Escherichia coli LpxA in complex with compound 1

Summary for 7OKC

• Entry DOI: 10.2210/pdb7okc/pdb
• Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, SODIUM ION, ... (4 entities in total)
• Functional Keywords: acyltransferase, fatty acids, lipid a, left-handed parallel beta-helix, transferase
• Biological source: Escherichia coli
• Total number of polymer chains: 1
• Total formula weight: 28852.20

Authors

Ryan, M.D.,Parkes, A.L.,Southey, M.,Andersen, O.A.,Zahn, M.,Barker, J.,DeJonge, B.L.M. (deposition date: 2021-05-17, release date: 2021-10-06, Last modification date: 2024-01-31)

• Primary citation: Ryan, M.D.,Parkes, A.L.,Corbett, D.,Dickie, A.P.,Southey, M.,Andersen, O.A.,Stein, D.B.,Barbeau, O.R.,Sanzone, A.,Thommes, P.,Barker, J.,Cain, R.,Compper, C.,Dejob, M.,Dorali, A.,Etheridge, D.,Evans, S.,Faulkner, A.,Gadouleau, E.,Gorman, T.,Haase, D.,Holbrow-Wilshaw, M.,Krulle, T.,Li, X.,Lumley, C.,Mertins, B.,Napier, S.,Odedra, R.,Papadopoulos, K.,Roumpelakis, V.,Spear, K.,Trimby, E.,Williams, J.,Zahn, M.,Keefe, A.D.,Zhang, Y.,Soutter, H.T.,Centrella, P.A.,Clark, M.A.,Cuozzo, J.W.,Dumelin, C.E.,Deng, B.,Hunt, A.,Sigel, E.A.,Troast, D.M.,DeJonge, B.L.M.; Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .; J.Med.Chem., 64:14377-14425, 2021; PubMed: 34569791; DOI: 10.1021/acs.jmedchem.1c00888

Experimental method

X-RAY DIFFRACTION (1.84 Å)