7ATO

Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)

Summary for 7ATO

Entry DOI	10.2210/pdb7ato/pdb
Related	7ATM 7ATW 7ATX 7AU0 7AU1 7AU8 7AU9 7AUB 7AUH
Descriptor	Peptidoglycan D,D-transpeptidase FtsI, (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	d, d-transpeptidase, boron-binding, trivalency, hydrolase
Biological source	Pseudomonas aeruginosa PAO1
Total number of polymer chains	1
Total formula weight	58373.25
Authors	Newman, H.,Bellini, B.,Dowson, C.G. (deposition date: 2020-10-30, release date: 2021-08-11, Last modification date: 2024-01-31)
Primary citation	Newman, H.,Krajnc, A.,Bellini, D.,Eyermann, C.J.,Boyle, G.A.,Paterson, N.G.,McAuley, K.E.,Lesniak, R.,Gangar, M.,von Delft, F.,Brem, J.,Chibale, K.,Schofield, C.J.,Dowson, C.G. High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64:11379-11394, 2021 Cited by PubMed: 34337941 DOI: 10.1021/acs.jmedchem.1c00717 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.587 Å)

Structure validation