7OSQ

Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)

Summary for 7OSQ

Entry DOI	10.2210/pdb7osq/pdb
Related	7OR2 7ORZ
Descriptor	UDP-N-acetylenolpyruvoylglucosamine reductase, FLAVIN-ADENINE DINUCLEOTIDE, 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, ... (4 entities in total)
Functional Keywords	peptidoglycan-biosynthesis, fragment based drug discovery, oxidoreductase
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	38667.61
Authors	Acebron-Garcia de Eulate, M.,Mayol-Llinas, J.,Blundell, T.L.,Kim, S.Y.,Mendes, V.,Abell, C. (deposition date: 2021-06-09, release date: 2021-11-03, Last modification date: 2024-01-31)
Primary citation	Acebron-Garcia-de-Eulate, M.,Mayol-Llinas, J.,Holland, M.T.O.,Kim, S.Y.,Brown, K.P.,Marchetti, C.,Hess, J.,Di Pietro, O.,Mendes, V.,Abell, C.,Floto, R.A.,Coyne, A.G.,Blundell, T.L. Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients. J.Med.Chem., 65:2149-2173, 2022 Cited by PubMed: 35080396 DOI: 10.1021/acs.jmedchem.1c01684 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.07 Å)

Structure validation