6MAE

CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide

Summary for 6MAE

• Entry DOI: 10.2210/pdb6mae/pdb
• Descriptor: UDP-3-O-acyl-N-acetylglucosamine deacetylase, (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, ZINC ION, ... (4 entities in total)
• Functional Keywords: lpxc, hydrolase
• Biological source: Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
• Total number of polymer chains: 1
• Total formula weight: 33634.54

Authors

Shu, W. (deposition date: 2018-08-27, release date: 2019-01-23, Last modification date: 2024-03-13)

• Primary citation: Lee, P.S.,Lapointe, G.,Madera, A.M.,Simmons, R.L.,Xu, W.,Yifru, A.,Tjandra, M.,Karur, S.,Rico, A.,Thompson, K.,Bojkovic, J.,Xie, L.,Uehara, K.,Liu, A.,Shu, W.,Bellamacina, C.,McKenney, D.,Morris, L.,Tonn, G.R.,Osborne, C.,Benton, B.M.,McDowell, L.,Fu, J.,Sweeney, Z.K.; Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.; J. Med. Chem., 61:9360-9370, 2018; PubMed: 30226381; DOI: 10.1021/acs.jmedchem.8b01287

Experimental method

X-RAY DIFFRACTION (1.8 Å)