7OJQ
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7
Summary for 7OJQ
Entry DOI | 10.2210/pdb7ojq/pdb |
Descriptor | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide (3 entities in total) |
Functional Keywords | acyltransferase, fatty acids, lipid a, left-handed parallel beta-helix, transferase |
Biological source | Pseudomonas aeruginosa (strain PA7) |
Total number of polymer chains | 3 |
Total formula weight | 86231.71 |
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: 2021-10-13, 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 Cited by PubMed: 34569791DOI: 10.1021/acs.jmedchem.1c00888 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.87 Å) |
Structure validation
Download full validation report